smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O/N=C/c1ccc(OCc2cccc(F)c2)cc1 107409749 JSWGAXCAJLBCTQ-CXUHLZMHSA-N 245.253 3.213 30 50 BGEA Cc1cc(Cl)n2c(nc3ccccc32)c1C#N 40847 AKFXQYMORAUSBD-UHFFFAOYSA-N 241.681 3.321 30 50 BGEA in-vitro O=C(/C=C/c1cccc(F)c1)c1ccccc1O 4582892 YIYXRAZENVLXMP-CMDGGOBGSA-N 242.249 3.427 30 50 BGEA C=C(C)C(=O)Oc1cccc2ccccc12 2149850 HVYCQBKSRWZZGX-UHFFFAOYSA-N 212.248 3.321 30 50 BGEA C=C1C[C@H](O)C(C)(C)CC2=C(C)CC[C@@H]12 6395501 USUJOTMVQQCVSM-AAEUAGOBSA-N 206.329 3.450 30 50 BGEA C=CCC[C@H](C)CN1CCc2ncsc2C1 1615549959 ORPXZFBHEDCEBN-NSHDSACASA-N 236.384 3.104 30 50 BGEA CC12CC(B3OC(C)(C)C(C)(C)O3)(C1)C2 1772798389 LRIPYJIIRQIOGP-UHFFFAOYSA-N 208.110 3.023 30 50 BGEA CCSc1nsc(SCC)c1C#N 180349 FOOCZCXVGQZTTN-UHFFFAOYSA-N 230.383 3.239 30 50 BGEA C#Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 4088068 XABAACDJECMAOM-UHFFFAOYSA-N 239.249 3.059 30 50 BGEA N#C[C@H](c1ccccc1)N1CCCCCC1 34924992 MDTVIWLDOORMEX-CQSZACIVSA-N 214.312 3.127 30 50 BGEA in-vitro Oc1ccccc1/C=N/c1ccc(F)cc1 100037316 COFLOZFCNFCJFM-OQLLNIDSSA-N 215.227 3.282 30 50 BGEA in-vitro COc1ccc(C(=O)/C=C/c2ccc(C)o2)cc1 4670147 LVIQTRCKMFAMIW-MDZDMXLPSA-N 242.274 3.493 30 50 BGEA biogenic N#Cc1cc(Cl)cc(OC(F)(F)F)c1 12359170 RXIPYHUMXOYSSB-UHFFFAOYSA-N 221.565 3.110 30 50 BGEA Cc1ccc(Cl)cc1-c1cnn(CC#N)c1 1875331075 NYXLVKLLSRCQTB-UHFFFAOYSA-N 231.686 3.036 30 50 BGEA C=CCCCCN1CCc2ccccc2CC1 1191048506 OPWJFBKWOYBNEB-UHFFFAOYSA-N 229.367 3.444 30 50 BGEA N#Cc1cc2c([nH]c1=S)CCCCCC2 1824962 KJZGSJGINZZEDY-UHFFFAOYSA-N 218.325 3.275 30 50 BGEA S/C(=N/Nc1ccccc1)Nc1ccccc1 16739904 VGIVYSWGHVFQRP-UHFFFAOYSA-N 243.335 3.411 30 50 BGEA in-vitro N#Cc1ccc(COc2ccccc2F)cc1 19438402 BBLAHBYIHXPYHE-UHFFFAOYSA-N 227.238 3.276 30 50 BGEA in-vitro CC(=O)C1([C@]2(C)CO2)[C@H]2CC[C@H]1c1ccccc12 104292183 CEPDYSVTZXTIFO-KKUMJFAQSA-N 242.318 3.026 30 50 BGEA N#Cc1cccc(Oc2ccccc2)c1C#N 395605 XTWFKMOELYYKGC-UHFFFAOYSA-N 220.231 3.222 30 50 BGEA C=CCc1cc(C=O)cc(OC)c1OC(C)C 4942727 ODBLYZZOQPYPBK-UHFFFAOYSA-N 234.295 3.023 30 50 BGEA N#C[C@H](Nc1ccccc1)c1cccc(O)c1 6732273 KDZOTVHBVVFYNK-AWEZNQCLSA-N 224.263 3.069 30 50 BGEA N#CCOc1ccc(Br)cc1Cl 11834429 ZIYJCXGUCZBOTC-UHFFFAOYSA-N 246.491 3.005 30 50 BGEA C(=N/Cc1ccccc1)\NCc1ccccc1 2037703 ZQPVZUNRNWCVFD-UHFFFAOYSA-N 224.307 3.005 30 50 BGEA Cc1cccc(COc2ccc(C#N)cc2)c1 2873729 ODUADHGQLFSWOS-UHFFFAOYSA-N 223.275 3.446 30 50 BGEA in-vitro O=C(/C=C(/O)c1ccccc1)c1ccccc1 100744522 RZCYUOWKJNUVBF-SDNWHVSQSA-N 224.259 3.468 30 50 BGEA in-vitro C=C/C(O)=N/C1(/C(O)=N/CC(C)C)CCCC1 328596882 BDWMZJXWPRDWFY-UHFFFAOYSA-N 238.331 3.054 30 50 BGEA C=CCOC(=O)Nc1cccc(C)c1C 2172103 AWMFMKDMKLPZCZ-UHFFFAOYSA-N 205.257 3.038 30 50 BGEA C=CCNCCOc1cccc(OCCCC)c1 4841399 XVJRMEDFHPFPPP-UHFFFAOYSA-N 249.354 3.020 30 50 BGEA C=C1C[C@@H](C)O[C@@H](c2ccccc2O)C1 184048 OXEQMFZIMUHRTD-ZWNOBZJWSA-N 204.269 3.188 30 50 BGEA biogenic C=CCOc1ccc(Cl)c(Cl)c1CO 96032693 SMZIWMYPDHZMRQ-UHFFFAOYSA-N 233.094 3.051 30 50 BGEA N#C[C@H](C(=O)c1ccccc1)c1ccccc1 47521 JATZBKSNYZHCOC-AWEZNQCLSA-N 221.259 3.177 30 50 BGEA CCCCCCCCC#CC(=O)OCC 2384626 WVNHQHYIPXYFQX-UHFFFAOYSA-N 210.317 3.304 30 50 BGEA Cc1csc(N/N=C/c2ccccc2F)n1 3958889 SBXVBHKQBWOSDA-AWNIVKPZSA-N 235.287 3.037 30 50 BGEA N#Cc1ccc(-c2cn3cc(F)ccc3n2)cc1 118880425 PHXIIAANTPHDQO-UHFFFAOYSA-N 237.237 3.012 30 50 BGEA O=C1CCC=C1CSc1ccccc1 120524 HUDFUXLPNGIURP-UHFFFAOYSA-N 204.294 3.068 30 50 BGEA c1ccc2c(c1)[nH]c1cccc(OC[C@@H]3CO3)c12 2529779 SVWKIGRDISDRLO-JTQLQIEISA-N 239.274 3.099 30 50 BGEA in-vitro C=CCOc1c(Cl)cc(Cl)cc1C=O 2836384 OUKIZWDFBYWKIZ-UHFFFAOYSA-N 231.078 3.371 30 50 BGEA C#CCC[C@]12CCC[C@H]1C(=O)CC2(C)C 34215750 ZHOYNLMFZPBPDN-FZMZJTMJSA-N 204.313 3.185 30 50 BGEA C[C@H]1CCC[C@@H](C)N1CCCCCC#N 44125912 UJUWSYVJYCEUOK-BETUJISGSA-N 208.349 3.333 30 50 BGEA C=C(B1OC(C)(C)C(C)(C)O1)c1ccc(F)cc1 169745184 BNROZDXKAQJDJC-UHFFFAOYSA-N 248.106 3.470 30 50 BGEA in-vitro N#Cc1cccc(CN2CCC(=C(F)F)CC2)c1 585116877 LAFZRIRYJOKRML-UHFFFAOYSA-N 248.276 3.305 30 50 BGEA N#Cc1ccccc1-c1ocnc1CC1CC1 2356153384 DRZGUQBMDFEECF-UHFFFAOYSA-N 224.263 3.166 30 50 BGEA N#C[C@@H](C(=O)c1ccccc1)c1ccccc1 47520 JATZBKSNYZHCOC-CQSZACIVSA-N 221.259 3.177 30 50 BGEA C/C(=N\Cc1ccccc1)c1ccccc1O 13469954 DNSDMSAATMZYNW-FOWTUZBSSA-N 225.291 3.401 30 50 BGEA ON=C1CCCc2[nH]c3ccc(Cl)cc3c21 252586809 SSVFKGAOHIFRII-UHFFFAOYSA-N 234.686 3.336 30 50 BGEA CC1=C(Cl)C(=O)C(C(C)(C)C)=C(Cl)C1=O 3051947 PXZFLFQGPRHLQC-UHFFFAOYSA-N 247.121 3.190 30 50 BGEA CN(C)c1ccc(/C=C/C(=O)c2ccco2)cc1 5208024 HSRLRBJNFBZQDP-JXMROGBWSA-N 241.290 3.242 30 50 BGEA CSc1nc2ccccc2n1CCCC#N 6700573 YOZKUIFLISBJPG-UHFFFAOYSA-N 231.324 3.062 30 50 BGEA CCCCCCCn1c(CO)nc2ccccc21 8397597 FJHSBTCYKXSAOA-UHFFFAOYSA-N 246.354 3.499 30 50 BGEA O/N=C(/Cl)c1ccccc1C(F)(F)F 100469233 QKICFEIYQLMRAK-NTUHNPAUSA-N 223.581 3.080 30 50 BGEA O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1 479979 DBPNBHOCUSFGKI-KAMYIIQDSA-N 249.269 3.031 30 50 BGEA C=CCNc1nc(-c2ccc(O)cc2)cs1 2861725 SYHLKMUCYCGMNR-UHFFFAOYSA-N 232.308 3.114 30 50 BGEA N#C[C@H]1CC(c2ccccc2)=NN1c1ccccc1 4011791 BSKPIEALJAZZOT-OAHLLOKOSA-N 247.301 3.193 30 50 BGEA C=CCNCc1ccc(-c2ccccc2)o1 4869836 NWIYJTYHRFUACX-UHFFFAOYSA-N 213.280 3.222 30 50 BGEA Cc1cccc2cc(C#N)c(Cl)nc12 11985163 LEHPWUWENXRLSY-UHFFFAOYSA-N 202.644 3.068 30 50 BGEA in-vitro CCCCC(=O)/C=C1\Nc2ccccc2N=C1O 18163212 GORKVMQKUYXBMC-LCYFTJDESA-N 244.294 3.343 30 50 BGEA N#Cc1c(NCc2ccccc2)ccnc1Cl 19093700 CITZANXHXWMHOG-UHFFFAOYSA-N 243.697 3.219 30 50 BGEA Cc1ccccc1/N=C1/C(=O)Nc2ccccc21 15773548 WEYMDCYCTNHOIQ-UHFFFAOYSA-N 236.274 3.068 30 50 BGEA CCCCCCCCCCCC(=O)OCCN 78062261 WEJWRPYVWRFROR-UHFFFAOYSA-N 243.391 3.409 30 50 BGEA N#Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1 241553 QIDMBBDCFYNSEE-DHZHZOJOSA-N 248.285 3.210 30 50 BGEA biogenic C=CCSc1nc(CC)c(C)cc1C#N 2028091 KJMJZPDCVRWCJW-UHFFFAOYSA-N 218.325 3.102 30 50 BGEA C#CCn1c(Cc2ccccc2)nc2ccccc21 4385617 ZUUICMNKTMFIBI-UHFFFAOYSA-N 246.313 3.260 30 50 BGEA N#Cc1cccc2sc(C(F)(F)F)nc12 260145810 IVSOVDHULNFGMF-UHFFFAOYSA-N 228.198 3.187 30 50 BGEA C[C@@H](CC#N)N(C)Cc1cc2ccncc2s1 596996555 UBAPRWYPASNHNN-JTQLQIEISA-N 245.351 3.030 30 50 BGEA CCC[C@@H]1CCc2c(sc(N)c2C#N)C1 442782 CMJOQDLSCOMRQU-MRVPVSSYSA-N 220.341 3.107 30 50 BGEA CNCCC[C@](C#N)(c1ccccc1C)C(C)C 5712047 VTFYVPYYPOIEIU-MRXNPFEDSA-N 244.382 3.412 30 50 BGEA N#Cc1ccccc1-c1ccc(F)c(C(=O)O)c1 74937789 ALXMYYDZKCKBFA-UHFFFAOYSA-N 241.221 3.063 30 50 BGEA in-vitro Cc1ccc(C)c(-c2cc(C#N)n(C)c2C)c1 426479138 UNRMAFYYEDUNLR-UHFFFAOYSA-N 224.307 3.489 30 50 BGEA CC(=O)c1ccc(NC2=CC(=O)C[C@@H](C)C2)cc1 5211712 SDYPDIJPGWSTHI-JTQLQIEISA-N 243.306 3.184 30 50 BGEA N#Cc1c(Cl)cc2c3c(cccc13)COC2 148076379 UJVAQUDGEPHMKW-UHFFFAOYSA-N 229.666 3.395 30 50 BGEA CC1(C)CC(=O)C=C(NCCc2ccccc2)C1 294529 VRAJSRAYCMHUJX-UHFFFAOYSA-N 243.350 3.092 30 50 BGEA COc1ccc(C(=O)C=C(Cl)Cl)cc1 436342 WFOWIUXQKXZCID-UHFFFAOYSA-N 231.078 3.197 30 50 BGEA N#Cc1ccc(-c2ccccc2Cl)o1 1059242 MVNPHQBMFULQMI-UHFFFAOYSA-N 203.628 3.472 30 50 BGEA O/N=C(\c1ccc(Cl)cc1)c1ccco1 4783185 RCXDTBNVQYEHKQ-ACCUITESSA-N 221.643 3.160 30 50 BGEA COc1ccc2c(c1)[C@@H]1O[C@@H]1C1(CCCCC1)O2 32917433 QIPCGUKQTLNTJZ-KBPBESRZSA-N 246.306 3.230 30 50 BGEA Clc1ccc(C#CBr)cc1 114982207 MWLDFOCAVDOKBW-UHFFFAOYSA-N 215.477 3.044 30 50 BGEA COc1cccc(-c2ccccc2C#N)c1 74937815 AVHMBEWBXCSBHX-UHFFFAOYSA-N 209.248 3.234 30 50 BGEA Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1F 263624100 NJWQEWDNLOJCAX-UHFFFAOYSA-N 247.113 3.446 30 50 BGEA N#CC[C@@H]1CCc2[nH]c3ccccc3c2C1 393210 WCVKHIRZXGSZRF-JTQLQIEISA-N 210.280 3.186 30 50 BGEA O=C[C@H]1CC2c3ccccc3C1c1ccccc12 1687445 ZTXNTRMWAYPWEF-LBWKMTJJSA-N 234.298 3.483 30 50 BGEA O=C1/C(=C/c2cccc(O)c2)Oc2ccccc21 147542807 UIZTWPYADBXWKN-ZROIWOOFSA-N 238.242 3.008 30 50 BGEA N#Cc1cccc(-c2cccc([N+](=O)[O-])c2)c1 22201670 RDDKZUGQFOXIED-UHFFFAOYSA-N 224.219 3.133 30 50 BGEA in-vitro N#CCc1ccc(F)cc1OCc1ccccc1 307654455 MKEYIBZSBFCDFG-UHFFFAOYSA-N 241.265 3.471 30 50 BGEA CC(C)SCCN[C@H](C)c1ccc(C#N)cc1 336714647 SCSPAAHQNDPEHR-GFCCVEGCSA-N 248.395 3.350 30 50 BGEA C=CCOc1ccc2c(C)c(CC)c(=O)oc2c1 1827594 HPWOVUDGELGNII-UHFFFAOYSA-N 244.290 3.229 30 50 BGEA N#Cc1cccc(-c2ccc([N+](=O)[O-])cc2)c1 74937837 PLVVAOSJIWCLTE-UHFFFAOYSA-N 224.219 3.133 30 50 BGEA in-vitro C(=N\CC/N=C/c1ccccc1)\c1ccccc1 100468929 QBAKBJNOARBSGP-SIJTWYJSSA-N 236.318 3.225 30 50 BGEA N#Cc1c(F)cccc1[C@@H](C#N)c1cccs1 167588 NXLQXFASJWXVQZ-LLVKDONJSA-N 242.278 3.414 30 50 BGEA CC(C)=NOC(=O)Nc1cc(C)cc(C)c1 4775220 ACWAOXYQVJLWIE-UHFFFAOYSA-N 220.272 3.248 30 50 BGEA N#Cc1ccc([C@@H](O)c2cccc(Cl)c2)cc1 85477521 XMKUXLMPAHGREV-CQSZACIVSA-N 243.693 3.293 30 50 BGEA Cc1cc(-c2ccc(C)o2)c(C#N)c(=S)[nH]1 274753 CHAIQDYEUVRLRH-UHFFFAOYSA-N 230.292 3.493 30 50 BGEA N#Cc1cccc(-c2ccccc2C#N)c1 1256579 OLCLHKQNHIAZPI-UHFFFAOYSA-N 204.232 3.097 30 50 BGEA in-vitro C=CC(=O)c1ccc2cc(N(C)C)ccc2c1 2565841 HMWAJFNEGAJETK-UHFFFAOYSA-N 225.291 3.275 30 50 BGEA Cc1cc(O)ccc1N/C=C1/CCCCC1=O 18143385 HUJCJKOCHJVEKI-LUAWRHEFSA-N 231.295 3.140 30 50 BGEA C=C/C(O)=N/[C@@H](c1ccnc(Cl)c1)C1CC1 328597285 GORSVOZKTUIXTN-GFCCVEGCSA-N 236.702 3.329 30 50 BGEA C=CCOc1ccc(NC(=O)C2CCCC2)cc1 40828380 IGJXZFUOMXURPI-UHFFFAOYSA-N 245.322 3.380 30 50 BGEA CCO[C@H](CCC#N)c1ccc(C)cc1 2043955 XNTCRZPEWZRCPA-CYBMUJFWSA-N 203.285 3.376 30 50 BGEA in-vitro C[C@]1(C#CCN2CCCCC2)CC1(Cl)Cl 4947748 WJVSXBCSEJONTM-NSHDSACASA-N 246.181 3.060 30 50 BGEA C=CCCC[C@](C)(CO)c1ccccc1 43198653 FSYNLRUHBLIACN-CQSZACIVSA-N 204.313 3.293 30 50 BGEA Cc1ccc2[nH]cc(-c3ncccc3C#N)c2c1 67872576 UOVNSSKJQZSQQN-UHFFFAOYSA-N 233.274 3.410 30 50 BGEA C[Si](C)(C)C#Cc1nccc2ccccc12 169746785 UCIUBLLCEWITIZ-UHFFFAOYSA-N 225.367 3.464 30 50 BGEA CC1=CCCC(C)(C)[C@@H]1/C=C/C(=O)CCN(C)C 96027425 LMLLWMCHNUETGU-XVJNWHFHSA-N 249.398 3.446 30 50 BGEA C=C(C)C(=O)OC1(C(C)C)CCCCC1 114394361 KDSLFWBFCGYUIQ-UHFFFAOYSA-N 210.317 3.465 30 50 BGEA CC1(C)OB([C@]2(C)CC2(C)C)OC1(C)C 238244419 KXBHHQGKDFFZGX-GFCCVEGCSA-N 210.126 3.269 30 50 BGEA C=CCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 2325804286 BHZAQWRYRKRTQK-JTQLQIEISA-N 237.730 3.436 30 50 BGEA Cc1nc2sc(C#N)c(N)c2c(C)c1Cl 32830 RAFUYBRXJANHGN-UHFFFAOYSA-N 237.715 3.020 30 50 BGEA N#Cc1ccc(Oc2ccc(F)cc2)cc1 1405392 NXVPHQNXBDDVCT-UHFFFAOYSA-N 213.211 3.490 30 50 BGEA in-vitro C=C([C@@H](O)[C@@H]1CC=CCC1)[Si](C)(C)C 169828223 SPDHOHKXTFWTGG-VXGBXAGGSA-N 210.393 3.137 30 50 BGEA N#Cc1cccc(OCc2ccccc2)c1 2525468 VLZQTLUSPQUQLC-UHFFFAOYSA-N 209.248 3.137 30 50 BGEA in-vitro CC(C)=C1C[C@H]2CCC3=CC(=O)CC[C@@]3(C1)[C@@H]2O 104297886 RTQLNTXLLPTGHC-LYRGGWFBSA-N 246.350 3.163 30 50 BGEA CC1=NN([C@H](C#N)c2ccc(F)cc2)C(C)(C)C1 1430251 JWLAMZGVAKRUKS-CYBMUJFWSA-N 245.301 3.251 30 50 BGEA CSc1cccc(-n2cccc2)c1C#N 4054856 REODBOOBBGDNBW-UHFFFAOYSA-N 214.293 3.071 30 50 BGEA C#Cc1ccc2c(c1)C(C)(C)CCS2 1537155 KVHNVHGCQWNGLG-UHFFFAOYSA-N 202.322 3.441 30 50 BGEA in-vitro CC1(C)OB(C2(c3ccccc3)CC2)OC1(C)C 307453249 UTULJTCRWPIQAE-UHFFFAOYSA-N 244.143 3.350 30 50 BGEA N#C[C@@H](Nc1ccccc1)c1ccccc1 392710 XOMUKMGWTCEDRE-CQSZACIVSA-N 208.264 3.363 30 50 BGEA biogenic,in-vitro c1ccc2c(c1)[nH]c1cccc(OC[C@H]3CO3)c12 12336756 SVWKIGRDISDRLO-SNVBAGLBSA-N 239.274 3.099 30 50 BGEA in-vitro C=CCC[C@H](O)c1ccc(Br)cc1 34511286 YLEKBWCBWPNKNQ-NSHDSACASA-N 241.128 3.449 30 50 BGEA in-vitro COc1cccc(/C=N/Cc2ccccc2)c1O 2167375 OWAZZBRLYUMMMU-LFIBNONCSA-N 241.290 3.020 30 50 BGEA CCCCCCCc1ccc(C(N)=O)cc1 3014432 YGDAVSZZNMUGSA-UHFFFAOYSA-N 219.328 3.298 30 50 BGEA Cc1nnc(SCc2ccc(C#N)cc2)s1 1121680 JMEHCVQMNAYZAV-UHFFFAOYSA-N 247.348 3.011 30 50 BGEA CCc1cc(Br)cc(CC)c1C#N 67802552 IAMOUWSOUQOSDV-UHFFFAOYSA-N 238.128 3.446 30 50 BGEA C#CCn1c(-c2ccccc2)nc2ccccc21 1408151 WVADGDLFIHPBQE-UHFFFAOYSA-N 232.286 3.337 30 50 BGEA C=C(C)[C@@H]1CC=C(CN2C[C@@H](C)O[C@H](C)C2)CC1 19632664 HABGVALJRPPCLM-IIAWOOMASA-N 249.398 3.398 30 50 BGEA N#Cc1ccccc1[C@@H](C#N)c1ccc(F)cc1 169015 BRHKEEJUFXPRIJ-HNNXBMFYSA-N 236.249 3.353 30 50 BGEA in-vitro Cc1cnc(-c2ccc(C3CC3)c(C#N)c2)o1 1616033799 DHUJDAGMARZYGF-UHFFFAOYSA-N 224.263 3.399 30 50 BGEA CC[C@@H](C)Oc1c(Cl)cc(C#N)cc1OC 4813945 BFOQTECLVHQAJT-MRVPVSSYSA-N 239.702 3.398 30 50 BGEA COc1ccccc1/N=C/c1ccccc1O 12371715 BQQFVTMDJOVKBH-XNTDXEJSSA-N 227.263 3.151 30 50 BGEA CC(=O)/C=C/c1cc(Br)ccc1F 26827926 ZSOMEPSFKDCBMZ-NSCUHMNNSA-N 243.075 3.190 30 50 BGEA C[Si](C)(C)C#Cc1cccc2cnccc12 169746788 QBRQSYFPTCJJEV-UHFFFAOYSA-N 225.367 3.464 30 50 BGEA C[C@H]1CC(C)(C)N(C)c2ccc(C#N)cc21 223774668 KVSCRVRVQZJIJM-JTQLQIEISA-N 214.312 3.280 30 50 BGEA Cc1ccc([C@H](C#N)c2ccc(N)cc2)cc1 394405 RTNMSYZNUZAKIK-HNNXBMFYSA-N 222.291 3.233 30 50 BGEA CC[C@@H](CC#N)NC1CC(C)(c2ccccc2)C1 253424687 JSSLBRIUYMUPEW-FHERZECASA-N 242.366 3.389 30 50 BGEA N#Cc1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 3897156 FEQBPFGUGQALQK-UHFFFAOYSA-N 239.234 3.210 30 50 BGEA in-vitro CC/C(C)=C/C(O)=N/[C@@H]1CCOC(C)(C)C1 328596941 BSAOVNWCLYGRRQ-RJCSOLBVSA-N 225.332 3.257 30 50 BGEA Cc1ccc(C(=O)c2ccc(C#N)cc2)cc1 330259 TZLPNFGBHSHCDP-UHFFFAOYSA-N 221.259 3.098 30 50 BGEA CCc1ccccc1-c1ncccc1C#N 67855516 MVAZPTHFGYNNHA-UHFFFAOYSA-N 208.264 3.183 30 50 BGEA CN(C)/C=C/C(=O)c1ccc(Cl)c(Cl)c1 140608 ABRRTQJUYQGWLY-AATRIKPKSA-N 244.121 3.251 30 50 BGEA in-vitro CC1(C)OB(/C=C/c2cccc(F)c2)OC1(C)C 170027230 XKOFTHAMHDHSMB-CMDGGOBGSA-N 248.106 3.470 30 50 BGEA CC(C)=N/N=c1/[nH]c(-c2ccccc2)cs1 3896835 SIGXFKDDWLYFHN-UHFFFAOYSA-N 231.324 3.040 30 50 BGEA O=C(c1ccc(Cl)cc1)N(O)c1ccccc1 399233 XTXVIRHMOLMTGY-UHFFFAOYSA-N 247.681 3.376 30 50 BGEA CC(C)(C)c1ccc(C(=O)CC#N)cc1 2556138 LKZFEKFWLCDIBF-UHFFFAOYSA-N 201.269 3.080 30 50 BGEA in-vitro N#Cc1ccc(OCc2ccc(F)cc2)cc1 2891104 XRYRTHRDVUSSMA-UHFFFAOYSA-N 227.238 3.276 30 50 BGEA CCCCOc1ccc(C#N)cc1OCC 2764595 PKEVVMNTMTZRNZ-UHFFFAOYSA-N 219.284 3.136 30 50 BGEA in-vitro N#Cc1ccc(OCc2ccc(Cl)nc2)cc1 4089499 YPSFUWUIBXQKPR-UHFFFAOYSA-N 244.681 3.186 30 50 BGEA C=C[C@@]12CC[C@@H](C[C@]1(O)/C=C\C)C2(C)C 71786739 PNNSFKHAZNHGLQ-SYBQSZJBSA-N 206.329 3.306 30 50 BGEA C=C(C)CN(CC)Cc1cccc(OCC)c1O 6274625 YBPQKZSTVKQAQW-UHFFFAOYSA-N 249.354 3.189 30 50 BGEA C=CCOc1cccc(NC(=O)C(C)(C)C)c1 8904949 KLPHWUOGQPJLNC-UHFFFAOYSA-N 233.311 3.236 30 50 BGEA N#CC1CN(C(c2ccccc2)c2ccccc2)C1 20230997 IXMOEAHDRKNAAG-UHFFFAOYSA-N 248.329 3.231 30 50 BGEA in-vitro C=CCNCCCOc1cccc2ccccc12 2901615 GXQIATVARYKSGD-UHFFFAOYSA-N 241.334 3.384 30 50 BGEA C=C(Cl)CC(CC(=C)Cl)C(=O)OCC 43199356 RKWIBOOXAZFYDN-UHFFFAOYSA-N 237.126 3.451 30 50 BGEA C=C[C@H]([C@]1(C=O)CCCCC1=O)[Si](C)(C)C 169831942 MVZWZBRMGVICIO-OLZOCXBDSA-N 238.403 3.209 30 50 BGEA N#Cc1cc(Cl)cc(Cl)c1OC(F)F 263625214 XSYMJHTXIGZPJX-UHFFFAOYSA-N 238.020 3.466 30 50 BGEA Cc1ccc(/N=C2\CCCCCN2)cc1 2387576 JPSLTRZLHPBDFA-UHFFFAOYSA-N 202.301 3.189 30 50 BGEA COc1ccc(/C=N/c2ccccc2)cc1 18206950 MSWPGMRTURVKRJ-RVDMUPIBSA-N 211.264 3.446 30 50 BGEA in-vitro N#Cc1c(F)cccc1[C@@H](C#N)c1ccccc1 169614 BFRVFSABWCMXEP-ZDUSSCGKSA-N 236.249 3.353 30 50 BGEA N#Cc1ccc(OCCc2ccccc2)cc1 2875879 IVGUIZHVKSZZPB-UHFFFAOYSA-N 223.275 3.180 30 50 BGEA C=C(C)C(=O)Oc1ccc2ccccc2c1 2149851 CXOYJPWMGYDJNW-UHFFFAOYSA-N 212.248 3.321 30 50 BGEA ON=C1c2ccccc2[C@H]2C[C@H]2c2ccccc21 43761818 NOPRIQWDIMTGOH-GASCZTMLSA-N 235.286 3.498 30 50 BGEA N#Cc1ccc2c(c1)[C@H]1[C@@H]3[C@H]([C@H]4CC[C@H]41)[C@@H]23 247661931 UAMXDFMEEJJIGE-WUEPUJKGSA-N 207.276 3.025 30 50 BGEA N#Cc1ccc(-c2ccccc2C#N)cc1 1259498 LCMOCANUWRJQAS-UHFFFAOYSA-N 204.232 3.097 30 50 BGEA in-vitro O=[N+]([O-])c1ccc(ON=C2CCCCC2)cc1 4114271 CVGURZCSMXENHW-UHFFFAOYSA-N 234.255 3.294 30 50 BGEA C=CCOc1ccc(CNC(C)(C)C)cc1OC 4670811 VIPWHTLZGDHRAV-UHFFFAOYSA-N 249.354 3.148 30 50 BGEA Nc1cc(F)c(C(F)(F)F)cc1C(F)(F)F 263623858 LILHSWWRBXLLAL-UHFFFAOYSA-N 247.113 3.446 30 50 BGEA O=C1CCCC2=C1Sc1ccccc1N2 239357 KOBHMYVVCCJHNM-UHFFFAOYSA-N 217.293 3.169 30 50 BGEA CC(C)(C)C1=CC(=O)C(=O)C(C(C)(C)C)=C1 1734421 NOUZOVBGCDDMSX-UHFFFAOYSA-N 220.312 3.083 30 50 BGEA in-vivo O=C[C@@H]1CC2c3ccccc3C1c1ccccc12 2044537 ZTXNTRMWAYPWEF-OSSATUEASA-N 234.298 3.483 30 50 BGEA C#CC(CC)(CC)NC(=O)Nc1ccccc1C 6698332 LZFPFFWBJQQQMN-UHFFFAOYSA-N 244.338 3.309 30 50 BGEA CCN1CCSC1=CC=Nc1ccccc1 1857524647 ZZNHMAPPYVSADI-UHFFFAOYSA-N 232.352 3.299 30 50 BGEA C(=N/OCc1ccccc1)\[C@H]1CCCSC1 2325718827 UTKBNENPJKXXCS-OZYJXZHSSA-N 235.352 3.332 30 50 BGEA COc1ccnc(Oc2ccc(C)cc2)c1C#N 1398112 FKFQFOQJCLFJHB-UHFFFAOYSA-N 240.262 3.063 30 50 BGEA C(=N/CC/N=C/c1ccccc1)\c1ccccc1 100004717 QBAKBJNOARBSGP-HBKJEHTGSA-N 236.318 3.225 30 50 BGEA C[C@H]1c2ccccc2CCN1c1cccc(C#N)n1 270014161 BOZGQLNJLIKQPZ-LBPRGKRZSA-N 249.317 3.077 30 50 BGEA Cc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1 12447517 ZETUOQQJYCOFTD-UHFFFAOYSA-N 236.274 3.068 30 50 BGEA CCC(CC)O/N=C/c1ccc(C(=O)OC)cc1 170611112 ITQBYXHZTUCRIE-XNTDXEJSSA-N 249.310 3.012 30 50 BGEA N#Cc1cc(Cl)ccc1N[C@H]1CC[C@H]1F 1875306948 QTMAEZBYTWNVMM-KOLCDFICSA-N 224.666 3.124 30 50 BGEA CC#CC(=O)N[C@H](c1cc(C)sc1C)C(C)C 1875363079 GZZLNDGKLORVFY-AWEZNQCLSA-N 249.379 3.202 30 50 BGEA CC1=NN([C@@H](C#N)c2ccc(F)cc2)C(C)(C)C1 1430249 JWLAMZGVAKRUKS-ZDUSSCGKSA-N 245.301 3.251 30 50 BGEA CC(C)C(=O)Nc1sc2c(c1C#N)CCCC2 141554 WEQBJUFKTHOGLQ-UHFFFAOYSA-N 248.351 3.093 30 50 BGEA CC(C)(C#N)c1ccc(Br)cc1 2583921 DABJLFKRJWUXMV-UHFFFAOYSA-N 224.101 3.250 30 50 BGEA in-vitro N#Cc1c(-c2ccccc2)cc(C2CC2)nc1N 19300142 NQFIMEZPUWWZCY-UHFFFAOYSA-N 235.290 3.080 30 50 BGEA C=C1[C@@H]2C[C@@H]2[C@]2(C)Cc3occ(C)c3[C@@H](O)[C@@H]12 71404557 XRDJYSVGPBJZSG-BZNWMUAVSA-N 230.307 3.006 30 50 BGEA biogenic CCO[C@H](C#N)c1ccc(F)cc1C(F)(F)F 167672985 IFNMVGVDNCMEHJ-SNVBAGLBSA-N 247.191 3.446 30 50 BGEA CC(=O)/C=C(\OB(F)F)c1ccc(Cl)cc1 169805573 RAPJPLNYNYOBEF-POHAHGRESA-N 244.433 3.210 30 50 BGEA Nc1ccccc1C(=O)/C=C/c1cccs1 4052552 XQWOGFAJTPHZCA-BQYQJAHWSA-N 229.304 3.226 30 50 BGEA C=C(CC(C)C)c1nc(-c2ccncc2)no1 1615589401 XNWLTFALMAMDPH-UHFFFAOYSA-N 229.283 3.191 30 50 BGEA N#Cc1ccc2c(c1)CO[C@H]2c1ccc(F)cc1 8782782 YXCRMKYHFFMNPT-HNNXBMFYSA-N 239.249 3.317 30 50 BGEA in-vitro N#CCOc1ccccc1-c1ccccc1 11834396 FYVUHGKBSDJFNH-UHFFFAOYSA-N 209.248 3.256 30 50 BGEA in-vitro C=CC(C)(C)NC(=O)c1cc(F)ccc1Cl 891266023 BEHWGEXIBCCGFM-UHFFFAOYSA-N 241.693 3.174 30 50 BGEA C#Cc1ccc(C)c(C(=O)Nc2ccccc2)c1 1857778262 SOQHAOJITDTDSE-UHFFFAOYSA-N 235.286 3.229 30 50 BGEA Cc1ccn2cc(-c3ccc(C#N)cc3)nc2c1 337760 CTOFRIRWYNGCNE-UHFFFAOYSA-N 233.274 3.181 30 50 BGEA CCCCCCCCCCS(=O)(=O)O 1843748 KVGOXGQSTGQXDD-UHFFFAOYSA-N 222.350 3.015 30 50 BGEA in-vivo COc1ccc(C(C)=O)cc1CSCCC#N 2196936 SJTAZNYULGQTEZ-UHFFFAOYSA-N 249.335 3.045 30 50 BGEA CC1(C)OB(C2=CCCCC2)OC1(C)C 169743444 QNZFUMVTUFOLRT-UHFFFAOYSA-N 208.110 3.118 30 50 BGEA in-vitro C(=N/Nc1cccc2cccnc12)\c1ccncc1 5008816 YJHNFNNQFNSWNZ-WOJGMQOQSA-N 248.289 3.076 30 50 BGEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)C1CC=CC1 1615697400 LPOSOSDXPDSHLG-JSGCOSHPSA-N 231.339 3.074 30 50 BGEA Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3C#N 178921 CCHYQSQTTQJHNS-JTQLQIEISA-N 210.280 3.420 30 50 BGEA CCS/C(N)=N\c1ccc(C(F)(F)F)cc1 3872533 LCMOXIFARISMOH-UHFFFAOYSA-N 248.273 3.405 30 50 BGEA in-vivo C=C1COC(=O)[C@]12C[C@@H]1CCC[C@H](C)[C@@]1(C)C2 5492603 OVXAYHNZXBOVPV-FATJJJSSSA-N 234.339 3.322 30 50 BGEA biogenic CC(C)(C)C(=O)/C=C(N)\C=C\c1ccccc1 100310321 VCMCHYDUKRRPDD-SNMPHBPQSA-N 229.323 3.158 30 50 BGEA CO/C(=N/c1ccccc1)c1ccccc1 585669806 KDKHRAVKGIIQHF-CCEZHUSRSA-N 211.264 3.411 30 50 BGEA C#CC(CC)(CC)NC(=O)Nc1ccc(C)cc1 6699976 ROCVVAYOIQDGHM-UHFFFAOYSA-N 244.338 3.309 30 50 BGEA CC(C)(C)C1=CC(=O)C=C(C(C)(C)C)C1=O 132915 RDQSIADLBQFVMY-UHFFFAOYSA-N 220.312 3.083 30 50 BGEA endogenous,in-man N#Cc1ccc(Cl)c(C(F)(F)F)c1 157032 VBPYHJRQZZCFCW-UHFFFAOYSA-N 205.566 3.230 30 50 BGEA in-vitro C[C@H](C(=O)c1ccc(Cl)cc1)[n+]1ccccc1 2894286 IWNRHRFRHLLORJ-LLVKDONJSA-N 246.717 3.071 30 50 BGEA F/C(OC(F)(F)F)=C(/F)C(F)(F)F 100045502 SYLBHDWIEFOPOP-UPHRSURJSA-N 216.027 3.193 30 50 BGEA in-vitro COc1ccc(Oc2ccccc2C#N)cc1 167448 POUCYJIZEHTDSO-UHFFFAOYSA-N 225.247 3.359 30 50 BGEA CC(C)N(Cc1cccc(C#N)c1)CC1CC1 47861654 JGZFZHASZZEPLL-UHFFFAOYSA-N 228.339 3.179 30 50 BGEA CCc1cc(Br)cc(C)c1C#N 67802549 ZKNWZJQAKRBWLE-UHFFFAOYSA-N 224.101 3.192 30 50 BGEA COc1ccc(C)cc1N/C=C1/CCCCC1=O 18165883 SPYXCLDZAXXLGL-BENRWUELSA-N 245.322 3.443 30 50 BGEA CCOC(=O)/N=C1\C[C@H]2CC[C@@]1(C)C2(C)C 102315624 MGYUDYLQOPHWNT-HSPSTDAASA-N 223.316 3.430 30 50 BGEA C=C(C)CCN1CCCC[C@@H]1c1cc(C)[nH]n1 1620615190 OOEBOKGUAKEYDP-CQSZACIVSA-N 233.359 3.211 30 50 BGEA C/C(CC(C)(C)Nc1ccccc1)=N\O 4750868 MMDRAADPRBOFIM-GXDHUFHOSA-N 206.289 3.117 30 50 BGEA CC1(O)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 5762037 DQBHJILNHNRDTM-UHFFFAOYSA-N 236.355 3.265 30 50 BGEA in-vitro C=CCC[C@@H](C)NCc1nc(C)c(C)s1 134926772 XYXDAUGNYCEGQM-SECBINFHSA-N 224.373 3.204 30 50 BGEA Cc1ccc(C(=O)/C=C\N2CCCCC2)cc1 5750689 QIYQHCXXZJDPGU-XFXZXTDPSA-N 229.323 3.177 30 50 BGEA COc1ccc([C@@H](CC#N)C(C)C)cc1 477160 DBEWBAWCXLWOMD-ZDUSSCGKSA-N 203.285 3.348 30 50 BGEA N#CCc1cc(F)c(Cl)cc1Cl 2574993 HWSJWOKRNKDGKQ-UHFFFAOYSA-N 204.031 3.199 30 50 BGEA in-vitro C[C@@H]1C[C@@H](C)C(O)=C(/C=N/c2ccccc2)C1=O 6714098 VLPGMAMRLGEOCK-OOIWVLDFSA-N 243.306 3.446 30 50 BGEA O=C(/C=C/c1ccco1)c1ccc([N+](=O)[O-])cc1 15767960 IHVZZXXTLZVZKT-BQYQJAHWSA-N 243.218 3.084 30 50 BGEA COc1ccc(/C=N/c2ccccc2)c(OC)c1 17378418 DUGFMSCFQCJGBY-LFIBNONCSA-N 241.290 3.454 30 50 BGEA COc1ccc(-c2ccc(C#N)o2)cc1Cl 25757439 KKVVHHYRPQMIJQ-UHFFFAOYSA-N 233.654 3.480 30 50 BGEA N#Cc1cccnc1-c1ccc(F)cc1Cl 67907988 FAMIOLIBXWTHMA-UHFFFAOYSA-N 232.645 3.413 30 50 BGEA C=CCCC[C@@H](C(=O)OC)[Si](C)(C)C 169831365 DJVZCEBGEVQEJI-JTQLQIEISA-N 214.381 3.224 30 50 BGEA Cc1cccc(-n2c(C)cc(C=NO)c2C)c1 252320854 YBPSQTGOFKLHOX-UHFFFAOYSA-N 228.295 3.211 30 50 BGEA C[C@]1(c2ccc(Cl)cc2Cl)O[C@@H]1C#N 307082636 JSMVGVBJXJWHCB-NXEZZACHSA-N 228.078 3.131 30 50 BGEA CCO[C@@H](CCC#N)c1ccc(C)cc1 1691313 XNTCRZPEWZRCPA-ZDUSSCGKSA-N 203.285 3.376 30 50 BGEA in-vitro CC(C)(C#N)c1cccc(Br)c1 37934443 NKECRCMIFURWMK-UHFFFAOYSA-N 224.101 3.250 30 50 BGEA in-vitro C=CCSc1ccc(Br)cn1 95099995 DCESELJURKPMFP-UHFFFAOYSA-N 230.130 3.122 30 50 BGEA O=C1C=C2CCCC[C@@H]2[C@@H]2CCCC[C@@H]12 216039500 JRMDUKMUBDZKCX-RWMBFGLXSA-N 204.313 3.492 30 50 BGEA C=C1CCC[C@@]2(C)C[C@H]3OC(=O)C(C)=C3C[C@H]12 36373554 OQYBLUDOOFOBPO-NFAWXSAZSA-N 232.323 3.385 30 50 BGEA biogenic,in-vitro C(=NNc1ccc2ccccc2n1)c1ccccn1 254136345 RQKUHYQNHJJIFO-UHFFFAOYSA-N 248.289 3.076 30 50 BGEA N#Cc1ccc(C(F)(F)F)cc1Cl 165075 GEHMLBFNZKJDQM-UHFFFAOYSA-N 205.566 3.230 30 50 BGEA in-vitro O=C(/C=C/c1ccc(F)cc1)c1ccc(O)cc1 5094118 NDVVHDJUSWOVOP-XCVCLJGOSA-N 242.249 3.427 30 50 BGEA COc1cccc(/C=C/C(=O)c2ccco2)c1 3892553 AFCJXGJLLQVESI-BQYQJAHWSA-N 228.247 3.184 30 50 BGEA N#Cc1ccnc(SCc2ccccc2)c1 5934239 CSEJMYVAIPCCMY-UHFFFAOYSA-N 226.304 3.246 30 50 BGEA COC1=CC(=O)[C@H]2[C@@H](C1)[C@H]1CC[C@H]2C1=C(C)C 257357312 NIVKAUJMNSOCCL-OXJKWZBOSA-N 232.323 3.098 30 50 BGEA CC(C)=Cc1ccc2c(N)c(C#N)sc2n1 758150 LCSCUPSGIONBAY-UHFFFAOYSA-N 229.308 3.173 30 50 BGEA Cc1ccc(N/N=C/c2ccccc2)cc1 4528847 QSRGDJNHRNUFIY-RVDMUPIBSA-N 210.280 3.441 30 50 BGEA CC(=O)/C=C/c1ccc(Br)cc1 586618 ZQNVTVOTCKZKHJ-NSCUHMNNSA-N 225.085 3.051 30 50 BGEA in-vitro O=[N+]([O-])c1ccc(/C=N/Nc2ccccc2)cc1 12376650 IXMQSJMHAYPXSV-GXDHUFHOSA-N 241.250 3.041 30 50 BGEA Cc1ccc(Oc2nc(C)ccc2C#N)cc1 16578432 VVYBAYIORQVQSP-UHFFFAOYSA-N 224.263 3.362 30 50 BGEA CCN/C(=N/c1ccccc1)SCC 96026551 PIVXGXQKKDCFHX-UHFFFAOYSA-N 208.330 3.037 30 50 BGEA COC(=O)c1ccc(-c2ccc(C#N)cc2)cc1 170395 FIYLQUDLOIWNDL-UHFFFAOYSA-N 237.258 3.012 30 50 BGEA in-vitro CC1(C)CC(=O)C=C(NC2CCCCC2)C1 6652343 BBRPUCDNSTWJAG-UHFFFAOYSA-N 221.344 3.182 30 50 BGEA N#CC1(NC2CCCCC2)CCCCC1 49841039 OUAURGNVVSZCEB-UHFFFAOYSA-N 206.333 3.135 30 50 BGEA N#Cc1ccc(Oc2ccccc2C=O)cc1 1389799 PHXACBMAMQKNJM-UHFFFAOYSA-N 223.231 3.163 30 50 BGEA in-vitro C=CCOC(=O)Nc1cc(C)cc(C)c1 2172184 MRUOHWVYYVRLSY-UHFFFAOYSA-N 205.257 3.038 30 50 BGEA FC(F)(F)c1cccc(SC[C@H]2CO2)c1 71773671 PUZRUJJXVAEMEY-MRVPVSSYSA-N 234.242 3.196 30 50 BGEA N#Cc1ccc(Br)c2ccccc12 34338668 ITKIWUNXKKMMSE-UHFFFAOYSA-N 232.080 3.474 30 50 BGEA in-vitro Cc1cccc(CB2OC(C)(C)C(C)(C)O2)c1 195870837 UWLGHSSTOZFXKK-UHFFFAOYSA-N 232.132 3.169 30 50 BGEA Cc1ccccc1/N=C1\C[C@@H](C)N(C)C[C@@H]1C 25558917 QWTISDOHQBTPQV-PUSDIMDNSA-N 230.355 3.428 30 50 BGEA O=C(/C=C/c1cccs1)CCN1CCCCC1 96026536 IUNITMMUWWXYKL-VOTSOKGWSA-N 249.379 3.206 30 50 BGEA N#Cc1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H]3[C@@H]3[C@H]2[C@H]31 247661927 UAMXDFMEEJJIGE-SUPTYASCSA-N 207.276 3.025 30 50 BGEA Oc1ccccc1/C=N/c1ccccc1F 96593010 IWCJTSCDZDXKBK-OQLLNIDSSA-N 215.227 3.282 30 50 BGEA F[C@@H]1C(F)(F)C(F)(F)C(F)(F)[C@]1(F)Cl 140145280 ZIMKXLGBITZYGO-LWMBPPNESA-N 248.500 3.149 30 50 BGEA N#CCCC12CC=CCC1(C(=O)O)CC=CC2 45028074 CONRNYKYLPJWSF-UHFFFAOYSA-N 231.295 3.048 30 50 BGEA Cc1cnc([C@H](C)/N=C(/O)[C@H]2C[C@@H]2C2CC2)o1 328964483 LXWMMPSVGQGIAU-GDPRMGEGSA-N 234.299 3.047 30 50 BGEA Cc1cccc(-c2ccc(/C=N/O)o2)c1 4952850 XPGFZAJSAHSKNC-MDWZMJQESA-N 201.225 3.063 30 50 BGEA Oc1ccc(N/N=C/c2ccccc2Cl)cc1 5344624 VOUGXEVTALWHNO-OQLLNIDSSA-N 246.697 3.492 30 50 BGEA CCS/C(=N/Nc1ccc(C)cc1)C(C)=O 13562402 MZWBQTZASJYTMS-WYMLVPIESA-N 236.340 3.063 30 50 BGEA C=CC[C@@H]1N[C@H]2C[C@H](C)[C@H]1c1ccccc12 229857637 WVEZEGUHXBTLMA-HJPIBITLSA-N 213.324 3.399 30 50 BGEA N#Cc1c(Cl)ccc(OC(F)F)c1Cl 263625133 XBPDNUSCWQNTCN-UHFFFAOYSA-N 238.020 3.466 30 50 BGEA Cc1ccc(NC2=CC(=O)CC(C)(C)C2)c(N)c1 13739297 WKZPUKHFQXSMLK-UHFFFAOYSA-N 244.338 3.262 30 50 BGEA N#Cc1c(F)cccc1OCc1ccccc1 16159634 ITKHCBLEEGSDOF-UHFFFAOYSA-N 227.238 3.276 30 50 BGEA in-vitro C[C@H](O)C/C=N/c1cccc2ccccc12 17326602 AHTUGIHOEPIEAY-KBVGCWLLSA-N 213.280 3.313 30 50 BGEA C=CCOC(=O)Nc1c(C)cccc1CC 2172093 LSOJGSLLAJXBNC-UHFFFAOYSA-N 219.284 3.292 30 50 BGEA N#Cc1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H]3[C@@H]3[C@@H]2[C@H]31 101046535 UAMXDFMEEJJIGE-NMVPSPRLSA-N 207.276 3.025 30 50 BGEA CC1(C)OB(/C=C/c2ccsc2)OC1(C)C 169904133 MIMMTIXICVRKJI-FNORWQNLSA-N 236.145 3.393 30 50 BGEA N#CCCOCc1cccc2ccccc12 2464474 ARKCMYGHIGLNDV-UHFFFAOYSA-N 211.264 3.270 30 50 BGEA biogenic CCO[C@H](C#N)c1ccc2ccccc2c1 38435411 SERAXWXRCADJHK-CQSZACIVSA-N 211.264 3.441 30 50 BGEA N#Cc1cnc2cc(Cl)ccc2c1Cl 16697825 CBNKHDBGAQNSTN-UHFFFAOYSA-N 223.062 3.413 30 50 BGEA in-vitro Oc1ccccc1/C=N/Cc1ccccc1 100091581 LPSMMAHYAIVSQW-RVDMUPIBSA-N 211.264 3.011 30 50 BGEA in-man C=CCONC(=O)Nc1cccc2ccccc12 5171921 VJNKJTIWVLIFGK-UHFFFAOYSA-N 242.278 3.079 30 50 BGEA Nc1ccccc1C#Cc1ccc(Cl)cc1 21987769 WMODDNMUXZNAEH-UHFFFAOYSA-N 227.694 3.322 30 50 BGEA COc1ccccc1/C=N/c1ccccc1OC 44124909 ZSFQLVOYTRISDP-LFIBNONCSA-N 241.290 3.454 30 50 BGEA CCCCCCCCCCC(=O)OCCO 138343271 DSNOKLUHSDWJTF-UHFFFAOYSA-N 230.348 3.053 30 50 BGEA N#Cc1cc(OC(F)F)ccc1C(F)(F)F 263624954 VNZWOCZQVDTBRF-UHFFFAOYSA-N 237.127 3.178 30 50 BGEA C=CCOc1ccccc1CN1CCC[C@@H](C)C1 4989098 JGRCAFAESOEQRC-CQSZACIVSA-N 245.366 3.483 30 50 BGEA CCS[C@H]1CC[C@H](Nc2ccc(C#N)nc2)C1 170654177 QOMANHGANSGLNQ-GWCFXTLKSA-N 247.367 3.039 30 50 BGEA Cc1ccc2c(c1)c1c(n2C)[C@H](C#N)CCC1 178927 DVGHERPFFLJUQO-NSHDSACASA-N 224.307 3.430 30 50 BGEA C=CCNC/C=C/COc1ccc(Cl)cc1 12343793 GUQXRPHLWSVJGL-ONEGZZNKSA-N 237.730 3.051 30 50 BGEA C=CCc1cc(Br)ccc1F 148286620 ZVAHESWMCLELNS-UHFFFAOYSA-N 215.065 3.317 30 50 BGEA C=CC[C@@H]1N[C@H]2C[C@@H](C)[C@H]1c1ccccc12 229857630 WVEZEGUHXBTLMA-KJEVXHAQSA-N 213.324 3.399 30 50 BGEA CC(=O)/C=C\c1ccc(C(F)(F)F)cc1 31429566 PHVQEHOBDSECPV-IHWYPQMZSA-N 214.186 3.308 30 50 BGEA N#CCSc1cccc(Br)c1 55307712 OHIIDFXWQGFHJA-UHFFFAOYSA-N 228.114 3.065 30 50 BGEA N#Cc1c(-n2cccc2)cccc1-n1cccc1 4054858 WHEXFAGQPMMQBH-UHFFFAOYSA-N 233.274 3.140 30 50 BGEA N#Cc1cc([N+](=O)[O-])ccc1NC1CCCCC1 8703000 YBQOJQWARANKMO-UHFFFAOYSA-N 245.282 3.211 30 50 BGEA C=CCN(Cc1ccco1)C(=O)C[C@@H]1C=CCC1 65497774 JOLVLKITPILFBK-CYBMUJFWSA-N 245.322 3.151 30 50 BGEA C=CCc1cnc2cc([Si](C)(C)C)oc2c1 169794242 KSIXFIRSSFJEIB-UHFFFAOYSA-N 231.371 3.102 30 50 BGEA in-vitro C[C@]1(c2cc(F)c(Cl)cc2Cl)O[C@H]1C#N 306470772 RDGKXUPJUWCXAM-VHSXEESVSA-N 246.068 3.270 30 50 BGEA CC(C)=CC(=O)C[C@@H](C)[C@H]1C=CC(=O)CC1 1772820318 FZWWWSSVLQGIEQ-NEPJUHHUSA-N 220.312 3.083 30 50 BGEA biogenic C=CCC/C(C)=N\Nc1ccccc1[N+](=O)[O-] 4978660 YVPMQZVTVYEMSU-RAXLEYEMSA-N 233.271 3.349 30 50 BGEA COc1ccc2c(c1)[C@H]1O[C@H]1C1(CCCCC1)O2 32917431 QIPCGUKQTLNTJZ-ZIAGYGMSSA-N 246.306 3.230 30 50 BGEA N#Cc1ccc(Cl)c(OC(F)F)c1Cl 263625095 WSBIAZJJZWJONP-UHFFFAOYSA-N 238.020 3.466 30 50 BGEA N#CC1(c2ccc(Cl)nc2)CCCC1 307327902 JREWXWJZPXXKMT-UHFFFAOYSA-N 206.676 3.070 30 50 BGEA CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 804899 RFIZXKQWWBSQHB-MRVPVSSYSA-N 248.351 3.093 30 50 BGEA O=[N+]([O-])c1ccc(NN=C(C2CC2)C2CC2)cc1 4195933 DVCHRMUEGPRQIG-UHFFFAOYSA-N 245.282 3.183 30 50 BGEA Nc1ncccc1/N=C/c1ccc(Cl)cc1 15781899 QIMWGJPRUAUNAD-LZYBPNLTSA-N 231.686 3.068 30 50 BGEA C[C@H]1CCC[C@H](C)N1CCCCCC#N 44125915 UJUWSYVJYCEUOK-STQMWFEESA-N 208.349 3.333 30 50 BGEA COc1cccc(-c2ccc(C#N)c(F)c2)c1 85477313 RSVFSVRNEYXKDZ-UHFFFAOYSA-N 227.238 3.373 30 50 BGEA in-vitro Oc1ccc(/C=N/c2ccc(F)cc2)cc1 121600 VNNJGDYPPLXJFF-OQLLNIDSSA-N 215.227 3.282 30 50 BGEA in-vitro C[C@]1(c2ccc(Cl)cc2Cl)O[C@H]1C#N 307082638 JSMVGVBJXJWHCB-VHSXEESVSA-N 228.078 3.131 30 50 BGEA CC[C@H]1CC[C@](C=O)(Cc2cccnc2)C1 316689699 AZDKDUZQELQIPI-GXTWGEPZSA-N 217.312 3.020 30 50 BGEA C=CCOc1ccc(/C=C/C(C)=N\O)cc1 13130994 GZTPGORZSGFMCE-QFERZNBHSA-N 217.268 3.115 30 50 BGEA C=CCNC/C=C/COc1cc(C)ccc1C 16622924 QYISJUBMQLMOJZ-AATRIKPKSA-N 231.339 3.014 30 50 BGEA CCOC(=O)CCC[C@H](C#N)c1ccccc1 39281975 MTAGDIZQBQECSW-CYBMUJFWSA-N 231.295 3.027 30 50 BGEA N#Cc1cn(-c2ccccc2)nc1-c1ccco1 619514 IYSNAVFYDNLVGJ-UHFFFAOYSA-N 235.246 3.004 30 50 BGEA O=[N+]([O-])c1ccc(/C=N/c2ccccc2)cc1 100034216 GKSAMSVGROLNRA-GXDHUFHOSA-N 226.235 3.345 30 50 BGEA CCS[C@@H]1CC[C@H](Nc2ccc(C#N)nc2)C1 170654175 QOMANHGANSGLNQ-GXFFZTMASA-N 247.367 3.039 30 50 BGEA COc1ccc([C@H](C#N)c2ccccc2)cc1 1663979 NMRODAMTCYVZAZ-OAHLLOKOSA-N 223.275 3.351 30 50 BGEA CCN1/C(=C/C(C)=O)Sc2ccccc21 4737554 ZAQJHSAPJIMKAM-WQLSENKSSA-N 219.309 3.049 30 50 BGEA C=C(C)CN(CC)Cc1ccc(OC)cc1 5686340 PHZAMJIDEBPYGO-UHFFFAOYSA-N 219.328 3.093 30 50 BGEA CC(C)(C#N)c1ccc(-c2cc(N)ccn2)cc1 426387208 DIPMCWVZFPEBKX-UHFFFAOYSA-N 237.306 3.132 30 50 BGEA COc1ccc(C[C@H](C)C=O)cc1C(C)(C)C 584880101 RPMAKFMKMMNPEX-NSHDSACASA-N 234.339 3.370 30 50 BGEA N#C[C@H]1CCc2c(Br)cccc21 228896454 TZRWKHCSVRBEBJ-SSDOTTSWSA-N 222.085 3.002 30 50 BGEA C#Cc1ccc(OCc2ccccc2)cc1 1405437 XQHAOXRZNLCKJO-UHFFFAOYSA-N 208.260 3.247 30 50 BGEA in-vitro CC(C)COc1cc(Cl)ccc1C#N 62790149 PAAWEQOQGXZRBW-UHFFFAOYSA-N 209.676 3.246 30 50 BGEA C[C@H](NC(=O)OC(C)(C)C)c1cccc(C#N)c1 261206975 FYNADWYYWOQWAG-JTQLQIEISA-N 246.310 3.144 30 50 BGEA C=C(C)COc1ccc2c(C)cc(=O)oc2c1 82495 SXUHNEMTGMWMJG-UHFFFAOYSA-N 230.263 3.056 30 50 BGEA biogenic Cc1cccc(/N=C/c2ccc([N+](=O)[O-])cc2)n1 3062517 FARGESVKDHJORO-NTEUORMPSA-N 241.250 3.049 30 50 BGEA N#Cc1ccc2c(CN3CCCCC3)c[nH]c2c1 260079221 NRLHECYSZPDEMD-UHFFFAOYSA-N 239.322 3.025 30 50 BGEA N#Cc1c2c(c(C(F)(F)F)[nH]c1=S)CCC2 1009220 DRCFBIPXDVXITR-UHFFFAOYSA-N 244.241 3.123 30 50 BGEA O=C(/C=C/c1cccs1)c1ccco1 4582793 HIBLXINPOYYHFI-AATRIKPKSA-N 204.250 3.237 30 50 BGEA C/C(=N\Nc1ccccc1)c1cccc(N)c1 13152556 SNVWUZNHYWHMJO-LFIBNONCSA-N 225.295 3.105 30 50 BGEA C=CCN(Cc1ccc(F)cc1)C(=O)C1(C)CC1 55168364 GMHNWUOTJMUTBH-UHFFFAOYSA-N 247.313 3.140 30 50 BGEA C=C(C)CN(C)c1nc(C)nc2sccc12 55282547 KSQNFFDQUGOIER-UHFFFAOYSA-N 233.340 3.012 30 50 BGEA COc1ccc(N/C=C/C(=O)C(C)(C)C)cc1 18116136 CAIZYZQKHAMAAT-MDZDMXLPSA-N 233.311 3.236 30 50 BGEA CC1(C)OC12[C@H]1CC[C@H]2c2ccccc21 101049702 OQKCVKUZIUECCZ-RYUDHWBXSA-N 200.281 3.209 30 50 BGEA C[C@@]1(C#CCN2CCCCC2)CC1(Cl)Cl 271017 WJVSXBCSEJONTM-LLVKDONJSA-N 246.181 3.060 30 50 BGEA N#Cc1ccc(-c2cccc(C(=O)O)c2)cc1F 95495647 UZYLWBSKSGNMBE-UHFFFAOYSA-N 241.221 3.063 30 50 BGEA C[C@@H]1C[C@@H]1[C@@H](NCC#N)c1ccc(Cl)cc1 195550421 RUELVKBUYXOLSS-ICCXJUOJSA-N 234.730 3.150 30 50 BGEA CC(C)(CCC#N)CNc1cccc(O)c1 195566451 QLOVSQGIECXNRG-UHFFFAOYSA-N 218.300 3.134 30 50 BGEA N#Cc1ccccc1NC(=O)CC1CCCCC1 859151 LRDAFTUQSQUNCK-UHFFFAOYSA-N 242.322 3.467 30 50 BGEA CC(C)=NNc1nc2ccccc2s1 4522596 TZHQLYDPJQZYNF-UHFFFAOYSA-N 205.286 3.104 30 50 BGEA in-vitro N#Cc1ccc2c(c1)[C@H]1C=C[C@H]2[C@@H]2C=C[C@@H]12 230111009 FFGXWHCQENRNHP-FMSGJZPZSA-N 205.260 3.111 30 50 BGEA C=C1CCC[C@]2(C)C[C@H]3OC(=O)C(C)=C3C[C@@H]12 33833546 OQYBLUDOOFOBPO-GZBFAFLISA-N 232.323 3.385 30 50 BGEA biogenic,in-vitro N#CCC(=O)c1ccc(Cc2ccccc2)cc1 65362695 ATWZNUYMQQXKFL-UHFFFAOYSA-N 235.286 3.374 30 50 BGEA C[C@@]1(c2cc(Cl)ccc2Cl)O[C@H]1C#N 306684563 CZTSCHPNJOBOMT-UWVGGRQHSA-N 228.078 3.131 30 50 BGEA C=C/C(O)=N/Cc1cc(C(CC)CC)no1 328594546 SLEDHHBONSNQIH-UHFFFAOYSA-N 222.288 3.221 30 50 BGEA C=CCN(CC=C)C(=O)[C@@H](CC)c1ccccc1 2742882 TVWUUBCNRFVEKI-HNNXBMFYSA-N 243.350 3.381 30 50 BGEA COc1cccc(F)c1-c1nc(C)ccc1C#N 65371657 CTLYDVKRUUOWFV-UHFFFAOYSA-N 242.253 3.076 30 50 BGEA C=C/C(O)=N/C[C@@H]1C[C@@]1(C)c1cccs1 328599007 PSDIPHLPFSCPHN-JOYOIKCWSA-N 221.325 3.168 30 50 BGEA COc1ccc(-c2c(C)sc(N)c2C#N)cc1 34152 DOBQZXVLOBZACE-UHFFFAOYSA-N 244.319 3.186 30 50 BGEA in-vitro Cc1cccc(N/C(S)=N/C(C)(C)C)c1 6188469 HPFIURSGTADZBZ-UHFFFAOYSA-N 222.357 3.491 30 50 BGEA c1ccc(COc2cccc([C@H]3CO3)c2)cc1 71773888 MTDSMQMSFFLKLG-OAHLLOKOSA-N 226.275 3.337 30 50 BGEA N#CC1(c2cccc(Br)c2)CCC1 37382598 DXDKVAHRJJAWOH-UHFFFAOYSA-N 236.112 3.394 30 50 BGEA in-vitro N#CCCNC1(c2ccccc2)CCCCC1 96026972 KMDWKWNKTTVZMG-UHFFFAOYSA-N 228.339 3.349 30 50 BGEA N#Cc1sccc1-c1ccc(C=O)s1 725246249 SOYPXRAGCVHKHL-UHFFFAOYSA-N 219.290 3.161 30 50 BGEA Cc1cccc(C(=O)Nc2ccccc2C#N)c1 301494 ZOUDOQIYTNAYEZ-UHFFFAOYSA-N 236.274 3.119 30 50 BGEA N#Cc1ccc(N2CCCCCC2)c(F)c1 303001 DVXHOMMCJBMOAV-UHFFFAOYSA-N 218.275 3.078 30 50 BGEA Nc1ccc(/C=C/C(=O)c2cccs2)cc1 4181904 UHRYZMBTHSVABG-VMPITWQZSA-N 229.304 3.226 30 50 BGEA C[C@]12CCC3=CC(=O)CC[C@]3(C)[C@H]1CCC2=O 71786221 BXAGZYBCDAEXBT-SNPRPXQTSA-N 232.323 3.061 30 50 BGEA N#Cc1c(Cl)ccc(Br)c1F 36532896 TWYUOUVQRHKSFE-UHFFFAOYSA-N 234.455 3.113 30 50 BGEA ON=C1c2ccccc2CCc2ccccc21 155064 BYNLMOBUYHLZQC-UHFFFAOYSA-N 223.275 3.012 30 50 BGEA in-vitro CCCCCC(=O)Nc1ccc(CC#N)cc1 3622754 HNNYNTSQXPXLDK-UHFFFAOYSA-N 230.311 3.271 30 50 BGEA O=C1C=C(Nc2ccc(Cl)cc2)CCC1 4265246 RGPTVCHISMSLQC-UHFFFAOYSA-N 221.687 3.389 30 50 BGEA biogenic C=C1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1 169804404 KMRROMGNLAWBLG-UHFFFAOYSA-N 237.343 3.354 30 50 BGEA in-vitro C=CCOc1cccc(OCC=C)c1C 1635557 VVYOIPIRQHKWIJ-UHFFFAOYSA-N 204.269 3.125 30 50 BGEA in-vitro C[C@@H]1[C@@H](NCCCSCC#N)CCC[C@H]1C 248574303 SKYVDQHQRYXQAM-AGIUHOORSA-N 240.416 3.048 30 50 BGEA O=C1/C(=C/Nc2ccccc2)Nc2ccccc21 109638065 OHLGYRUJPFRSFV-UVTDQMKNSA-N 236.274 3.248 30 50 BGEA N#Cc1ccc2c(c1)[C@H]1C=C[C@H]2[C@@H]2C=C[C@H]12 216408697 FFGXWHCQENRNHP-MNXVOIDGSA-N 205.260 3.111 30 50 BGEA N#Cc1ccc2nc(C(F)(F)F)sc2c1 238515432 YJKPNMFSTDCJRV-UHFFFAOYSA-N 228.198 3.187 30 50 BGEA C=C(C)C[C@@H](C)C(=O)Nc1cc2cc[nH]c2cn1 585090789 IUTKRYXULPGDNY-SNVBAGLBSA-N 243.310 3.104 30 50 BGEA Fc1ccc(-c2cc(CS)no2)c(F)c1 725253243 ZWDPJVHBAXZVKC-UHFFFAOYSA-N 227.235 3.050 30 50 BGEA COc1ccc(OCCCCCS)cc1 3876689 WESXVDPYDRJJDE-UHFFFAOYSA-N 226.341 3.174 30 50 BGEA C=C1CCC[C@@H](NC(=O)OC(C)(C)C)C1 217768911 MWIJEJSTDCDUTG-SNVBAGLBSA-N 211.305 3.010 30 50 BGEA in-vitro C[C@@]1(c2cc(F)c(Cl)cc2Cl)O[C@H]1C#N 306470771 RDGKXUPJUWCXAM-UWVGGRQHSA-N 246.068 3.270 30 50 BGEA N#Cc1cc(Cl)c(F)cc1Br 575675510 HBAXDUKYYNUUFB-UHFFFAOYSA-N 234.455 3.113 30 50 BGEA CC1=C(N2CCCCC2)C(=O)CC(C)(C)C1 473881 SAWAXLDBSPNEOV-UHFFFAOYSA-N 221.344 3.135 30 50 BGEA Cc1cc(Br)cc(Cl)c1C#N 67802811 YVQWFIMVHUBWJE-UHFFFAOYSA-N 230.492 3.283 30 50 BGEA C=CCOc1c(CC)cc(C(=O)O)cc1CC 2029539 ROPIJQGJZIMXLI-UHFFFAOYSA-N 234.295 3.074 30 50 BGEA Clc1ccc(CO/N=C/c2ccncc2)cc1 2160294 BWCVLBNGICUQEM-CXUHLZMHSA-N 246.697 3.286 30 50 BGEA N#Cc1cccc(-c2ccc(C=O)s2)c1 4312919 WRLZFQODXIIEJG-UHFFFAOYSA-N 213.261 3.099 30 50 BGEA in-vitro N#Cc1ccc(CCc2ccccc2O)cc1 143448310 VBZBGQGJZUDOGQ-UHFFFAOYSA-N 223.275 3.049 30 50 BGEA N#Cc1cc([N+](=O)[O-])ccc1Nc1ccccc1 6250432 WTLOSFZRBXOZTP-UHFFFAOYSA-N 239.234 3.210 30 50 BGEA CN(C)/C=C/C(=O)c1ccc(Cl)cc1Cl 142392 PCRNWHRXTOCARP-AATRIKPKSA-N 244.121 3.251 30 50 BGEA CSc1nc(-c2cccs2)ccc1C#N 403742 OSJMHNRVMZOBLT-UHFFFAOYSA-N 232.333 3.404 30 50 BGEA C(=N/Nc1nc2ccccc2[nH]1)\c1cccs1 4114764 OWKAHRHEDRVZBK-MDWZMJQESA-N 242.307 3.070 30 50 BGEA C=CCSc1cc(C)c(Br)cn1 215963416 XBHCZUPCYIDJND-UHFFFAOYSA-N 244.157 3.431 30 50 BGEA Cc1c(-c2ccccc2)sc(N)c1C#N 190705 ALTJGNDYZQYJSC-UHFFFAOYSA-N 214.293 3.177 30 50 BGEA CC(C)=CC(=O)C[C@](C)(O)c1ccc(C)cc1 196811269 HFXMOIIGXSNZTK-HNNXBMFYSA-N 232.323 3.128 30 50 BGEA CCCCCC1=C(O)C(=O)c2ccccc2C1=O 3984167 FCWFBFYSMWWNCB-UHFFFAOYSA-N 244.290 3.458 30 50 BGEA biogenic CCOC(=O)C[P+](C)(C(C)C)C(C)C 4955265 RIQDDZXVGZXMOK-UHFFFAOYSA-N 219.285 3.014 30 50 BGEA C=CCSC(=S)OCCCCC 5512859 WTPBLTFCXYTHNZ-UHFFFAOYSA-N 204.360 3.397 30 50 BGEA Cc1coc(C)c1C(=O)Nc1ccccc1C#N 16576923 POPRGLYDZZDREU-UHFFFAOYSA-N 240.262 3.020 30 50 BGEA O=C1CCCC/C1=C/Nc1ccc(F)cc1F 18209234 SYCYLXNOYCMYFV-HJWRWDBZSA-N 237.249 3.404 30 50 BGEA N#Cc1ccc(-c2ccc(C=O)s2)cc1 4312918 AJOXIADTZVUUGY-UHFFFAOYSA-N 213.261 3.099 30 50 BGEA Cc1ccc(C(=O)/C=C/c2ccco2)cc1 5380450 OHUPSIYNIKCTNE-CMDGGOBGSA-N 212.248 3.484 30 50 BGEA ON=Cc1cccc(Oc2ccccc2)c1 252370117 RBJVECPZAOPMNW-UHFFFAOYSA-N 213.236 3.287 30 50 BGEA CC(C)c1cc(Br)ccc1C#N 67802825 LGBLAVHYDPWSPW-UHFFFAOYSA-N 224.101 3.444 30 50 BGEA in-vitro C=C1C[C@@H](c2ccccc2O)O[C@H](C)C1 184038 OXEQMFZIMUHRTD-MFKMUULPSA-N 204.269 3.188 30 50 BGEA biogenic N#Cc1ccccc1-c1cccc(C=O)c1 1258208 KVPZVMLTYRMJNO-UHFFFAOYSA-N 207.232 3.038 30 50 BGEA N#CCc1cc(C(F)(F)F)ccc1Cl 2382129 KTMVZYQQKJZSFK-UHFFFAOYSA-N 219.593 3.425 30 50 BGEA in-vitro CCCCCCCCCCC[C@@H](O)CNC=O 101132413 NSWPGFZIEKTBHA-CQSZACIVSA-N 243.391 3.014 30 50 BGEA N#Cc1ccc2occ(C(F)(F)F)c2c1 224679564 QIFFUZBTMJMKQL-UHFFFAOYSA-N 211.142 3.323 30 50 BGEA in-vitro COc1cc(F)cc(-c2cccc(C#N)c2)c1 85477124 CXEOOXQBMHIRRB-UHFFFAOYSA-N 227.238 3.373 30 50 BGEA in-vitro CC1(C)OB([C@@]2(C)CC2(C)C)OC1(C)C 238253096 KXBHHQGKDFFZGX-LBPRGKRZSA-N 210.126 3.269 30 50 BGEA CC1(C)OB(/C=C/c2ccc(F)cc2)OC1(C)C 169745999 ZJRAXVMUDOVAOD-MDZDMXLPSA-N 248.106 3.470 30 50 BGEA O=C1/C(=C/c2ccco2)C[C@@H]2CCCC[C@@H]12 4532364 WYPCTYNXEASQHE-OUISBNNMSA-N 216.280 3.442 30 50 BGEA OCc1ccc(OCCCCCCS)cc1 44583788 HHHRERFRNRFXOV-UHFFFAOYSA-N 240.368 3.048 30 50 BGEA C=CC(=C)[C@]1(O)C[C@@]2(C)CC[C@H]1C(=C)C2 104304722 NYRXEHAUQUYWRY-MELADBBJSA-N 204.313 3.226 30 50 BGEA N#CCCCCCOCCCCCC#N 2163519 IUPHXWJKESLUHL-UHFFFAOYSA-N 208.305 3.171 30 50 BGEA COc1ccc(/C=N/Nc2ccc(C)cc2)cc1 4528849 QWGVQOCLXBFOFG-LFIBNONCSA-N 240.306 3.450 30 50 BGEA CC(C)Nc1cccc(Br)c1C#N 95495718 XWEWGSCQKVWVEG-UHFFFAOYSA-N 239.116 3.141 30 50 BGEA CC1(C)OB(/C=C2\C[C@H]3CC[C@H]2C3)OC1(C)C 396686501 RFFSHVDIUWRILH-MBTLQNOZSA-N 234.148 3.364 30 50 BGEA COc1ccc(/C=N/N(C(C)C)C(C)C)cc1 5498121 ZBJIBZDMAKHPLE-XNTDXEJSSA-N 234.343 3.148 30 50 BGEA CCc1ccc(NC(=O)C#Cc2ccccc2)cc1 6731133 XUBKDMHEXOHOIC-UHFFFAOYSA-N 249.313 3.239 30 50 BGEA N#Cc1ccnc2c(C(F)(F)F)cccc12 606241609 GGLAMLCHJQORHZ-UHFFFAOYSA-N 222.169 3.125 30 50 BGEA C=C1[C@H]2[C@H](O)c3c(C)coc3C[C@@]2(C)[C@H]2C[C@@H]12 71404556 XRDJYSVGPBJZSG-PFRZNRPLSA-N 230.307 3.006 30 50 BGEA biogenic C=CCN(CC=C)C(=S)Nc1ccccc1 396640 BPEFAXANMHULEW-UHFFFAOYSA-N 232.352 3.057 30 50 BGEA CCOc1ccc(-n2c(C)cc(C#N)c2C)cc1 33469006 XTJQJJUJUCRZHK-UHFFFAOYSA-N 240.306 3.365 30 50 BGEA N#Cc1cnc2cc(F)c(F)cc2c1Cl 12649547 AVMMVXQSCOUIFD-UHFFFAOYSA-N 224.597 3.038 30 50 BGEA in-vitro CC1(C)CC(=O)C=C(Nc2cccc(O)c2)C1 196621 IJNNTWLTTFJSLW-UHFFFAOYSA-N 231.295 3.077 30 50 BGEA C[C@@H](C=O)Cc1ccc(C(C)(C)C)cc1 1589924 SDQFDHOLCGWZPU-LLVKDONJSA-N 204.313 3.362 30 50 BGEA biogenic N#Cc1c(Cl)cc(OC(F)F)cc1Cl 263623028 CYMZUCZUFRNAMT-UHFFFAOYSA-N 238.020 3.466 30 50 BGEA O=C(C[n+]1ccccc1)c1ccc2ccccc2c1 1667275 KPIQWSQPSXQKOW-UHFFFAOYSA-N 248.305 3.010 30 50 BGEA CCCCCCCOC(=O)c1ccc(N)cc1 2019228 IAHJVNSZPMIREM-UHFFFAOYSA-N 235.327 3.396 30 50 BGEA biogenic N#Cc1cccc(OCc2ccccc2F)c1 2876017 FQXAYWJOOYPYRB-UHFFFAOYSA-N 227.238 3.276 30 50 BGEA Cc1cccc(OCCCCCS)c1 3876696 WQVGAJMUEDOUQN-UHFFFAOYSA-N 210.342 3.474 30 50 BGEA O=C1C=C(NCc2ccc(Cl)cc2)CCC1 11556348 YBWURWAAOLVOMX-UHFFFAOYSA-N 235.714 3.067 30 50 BGEA O=C1/C(=C/c2ccco2)C[C@H]2CCCC[C@@H]12 1729353 WYPCTYNXEASQHE-RLMBRUFRSA-N 216.280 3.442 30 50 BGEA C=C(C)[C@@H]1CC[C@H](C)O[C@@H]1CN1CCCCC1 13509908 HBGZKWRENUTODV-SOUVJXGZSA-N 237.387 3.232 30 50 BGEA N#Cc1cccc(-c2ccc3[nH]ccc3c2)n1 67725736 WMQPNQRKTKJWHT-UHFFFAOYSA-N 219.247 3.102 30 50 BGEA Cc1cccc2c(-c3ccc(C#N)nc3)c[nH]c12 534630867 UEFGIXVDPYFBHR-UHFFFAOYSA-N 233.274 3.410 30 50 BGEA N#Cc1ccc2c(c1)ncn2C1CCCCC1 65337236 DURWCXWCURBKLM-UHFFFAOYSA-N 225.295 3.413 30 50 BGEA in-vitro CC(C)=C1C[C@H]2CCC3=CC(=O)CC[C@@]3(C1)[C@H]2O 101052560 RTQLNTXLLPTGHC-RLCCDNCMSA-N 246.350 3.163 30 50 BGEA N#Cc1c2ccccc2nn1-c1ccc(F)cc1 196585140 GJPUUJDSGWIXMI-UHFFFAOYSA-N 237.237 3.036 30 50 BGEA N#Cc1cccc(-c2ccc(F)c(C(=O)O)c2)c1 38068153 YQWQJXPYAWCOFJ-UHFFFAOYSA-N 241.221 3.063 30 50 BGEA N#Cc1c(Br)ccc(Cl)c1F 96024839 HBZBMSOXIOOFED-UHFFFAOYSA-N 234.455 3.113 30 50 BGEA Cc1ccc(N2C(=N)c3ccccc3[C@H]2C#N)cc1 3187606 IOJNEJJGASTYJW-OAHLLOKOSA-N 247.301 3.405 30 50 BGEA N#Cc1sccc1-c1csc(C=O)c1 725244891 BEHLBEFQMUARIR-UHFFFAOYSA-N 219.290 3.161 30 50 BGEA COc1cccc(-c2ccc(C#N)cc2)c1 6407464 GXHPEFDYNQSANO-UHFFFAOYSA-N 209.248 3.234 30 50 BGEA C=C(C)c1nc(-c2ccc(C)cc2)no1 38537063 VRLQLXMFQOXEAS-UHFFFAOYSA-N 200.241 3.078 30 50 BGEA in-vitro Cc1cc(C2(C#N)CC2)ccc1Br 85476781 XAIQSXRKYAMDRT-UHFFFAOYSA-N 236.112 3.313 30 50 BGEA in-vitro C=C[C@@H]1CCCCN1c1cnc2ccccc2n1 252487542 HXLKFUWVYPSDHZ-GFCCVEGCSA-N 239.322 3.175 30 50 BGEA N#Cc1ccc(OCc2ccccc2)cc1 76272 UDAOJHAASAWVIQ-UHFFFAOYSA-N 209.248 3.137 30 50 BGEA in-vitro N#Cc1cc(-c2ccsc2)ccc1F 3883992 XSOGENOBVLTYCQ-UHFFFAOYSA-N 203.241 3.426 30 50 BGEA CC/C(C)=N/OC(=O)Nc1ccccc1 4403587 VHHGDSIALNQNQD-UKTHLTGXSA-N 206.245 3.021 30 50 BGEA CC[C@H](CC#N)NC(=O)c1sccc1C1CC1 331797064 UNKHXMIKYPIRHZ-SNVBAGLBSA-N 248.351 3.048 30 50 BGEA C=C(C)COc1ccc2c(C)c(C)c(=O)oc2c1 408771 XTCPLNYSELTQER-UHFFFAOYSA-N 244.290 3.365 30 50 BGEA biogenic C#CC(CC)(CC)NC(=O)Nc1cccc(C)c1 6731245 XDCIHIVZFDDJDQ-UHFFFAOYSA-N 244.338 3.309 30 50 BGEA Cc1ccc(CSCC2(C)COC2)cc1C#N 600636472 GQRRWLCTTNEPME-UHFFFAOYSA-N 247.363 3.136 30 50 BGEA C=C(C)Cn1c(-c2cccc(C)c2)n[nH]c1=S 6557006 CSDPTKWMJHKXRS-UHFFFAOYSA-N 245.351 3.492 30 50 BGEA N#Cc1ccnc(-c2cnc3ccccc3c2)c1 67868626 BPFHSFFOXDPUNA-UHFFFAOYSA-N 231.258 3.168 30 50 BGEA C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 3881905 PXOYOCNNSUAQNS-AGNJHWRGSA-N 232.323 3.241 30 50 BGEA biogenic,in-vitro C=C(C)[C@@H]1CC=C(CN(C)Cc2ncc[nH]2)CC1 65404689 XKCNNQFIBCZGQM-CQSZACIVSA-N 245.370 3.144 30 50 BGEA CC1(C)CC(=O)C(=Cc2cccs2)C(=O)C1 3160930 GVGQBDWTZXXAIL-UHFFFAOYSA-N 234.320 3.090 30 50 BGEA CCCCCCCCC[C@H](C)NCCCN 101172865 UAQKUOHTBRXSJO-AWEZNQCLSA-N 228.424 3.454 30 50 BGEA CCCSc1snc(OC(C)C)c1C#N 4593430 OCJDZGMQYWXUCN-UHFFFAOYSA-N 242.369 3.304 30 50 BGEA CC[C@H](C)Oc1c(Cl)cc(C#N)cc1OC 4813946 BFOQTECLVHQAJT-QMMMGPOBSA-N 239.702 3.398 30 50 BGEA O/N=C/c1ccc(OCc2ccccc2)cc1 18122047 SLNVTNZIMUJWQW-XNTDXEJSSA-N 227.263 3.074 30 50 BGEA in-vitro C=CC[C@H](CC/C=C\CO)OCc1ccccc1 43763477 ACGFZWXRVCNNCQ-LWAXHKBTSA-N 246.350 3.477 30 50 BGEA CC(C)(C)c1ccc(C2=CC(=O)C=CC2=O)cc1 103690876 SCUOUOWVWSYIFH-UHFFFAOYSA-N 240.302 3.076 30 50 BGEA N#Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 534719 JPMUPTNUZGYCCO-UHFFFAOYSA-N 248.625 3.380 30 50 BGEA Cc1ccccc1C(=O)Oc1ccc(C#N)cc1 4809006 FSXGXLHUUDLHFG-UHFFFAOYSA-N 237.258 3.086 30 50 BGEA Cc1ccccc1C(=O)[C@@H]1O[C@@H]1c1ccccc1 45068367 JKFABLSQTUYOLQ-CVEARBPZSA-N 238.286 3.318 30 50 BGEA Cc1cccc(C)c1/N=C(\O)[C@H]1CCCCN1 95618615 SILRCGDPZGQJOQ-GFCCVEGCSA-N 232.327 3.034 30 50 BGEA world Cc1cc(Cl)c(CC#N)cc1Br 575676577 BKCZGGDBZVLXOT-UHFFFAOYSA-N 244.519 3.477 30 50 BGEA N#Cc1ccccc1-c1ccc(/C=C/[N+](=O)[O-])o1 306801 OXMHHJWSOCCTNL-BQYQJAHWSA-N 240.218 3.066 30 50 BGEA [N-]=[N+]=Nc1ccccc1I 36928135 IITGPSFCXXSGJG-UHFFFAOYSA-N 245.023 3.233 30 50 BGEA CC1(C)OB([C@H]2CC23CCCC3)OC1(C)C 1857778719 TWDSPMRDYVTZFS-JTQLQIEISA-N 222.137 3.413 30 50 BGEA C=CCNC(=O)Nc1cc(Cl)ccc1Cl 2170977 SBKBWZWRUKEXCF-UHFFFAOYSA-N 245.109 3.301 30 50 BGEA C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2C 9668943 OYOSOUHKSKHZCY-VHSXEESVSA-N 242.322 3.166 30 50 BGEA CC1(C)CC(=O)C=C(NCc2cccs2)C1 100379532 AOSALUNKOSBCNU-UHFFFAOYSA-N 235.352 3.111 30 50 BGEA O=C(/C=C/C(=O)c1ccccc1)c1ccccc1 154692 WYCXGQSQHAXLPK-VAWYXSNFSA-N 236.270 3.308 30 50 BGEA COc1ccc(Cl)cc1-c1cc(C#N)ccn1 65373129 VHKFWQWYPCWJDI-UHFFFAOYSA-N 244.681 3.282 30 50 BGEA C[C@@]1(c2cc(F)c(Cl)cc2Cl)O[C@@H]1C#N 306470773 RDGKXUPJUWCXAM-ZJUUUORDSA-N 246.068 3.270 30 50 BGEA C=CCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 2325804287 BHZAQWRYRKRTQK-SNVBAGLBSA-N 237.730 3.436 30 50 BGEA C=C(C)CN(CC(=C)C)C(=O)c1ccccc1 394045 GYYWMENLRNYUIC-UHFFFAOYSA-N 229.323 3.281 30 50 BGEA CC(C)Oc1nsc(SC(C)C)c1C#N 4771116 IBBRBPFBCIRABE-UHFFFAOYSA-N 242.369 3.302 30 50 BGEA O=C1C=C(O)C[C@@H](c2ccc(Cl)cc2)C1 86040411 DLZDPGBOQGNSNO-SECBINFHSA-N 222.671 3.228 30 50 BGEA aggregator C#Cc1ccc(NC(=O)c2ccccc2C)cc1 4088150 VYHPSJGRENELGB-UHFFFAOYSA-N 235.286 3.229 30 50 BGEA C[C@@H]1C=C(B2OC(C)(C)C(C)(C)O2)CCC1 202527680 WGEZNLKZTUCRTM-JTQLQIEISA-N 222.137 3.364 30 50 BGEA N#CN(/N=C/c1ccccc1)c1ccccc1 6995849 WJWJUAWRXXHDFL-LFIBNONCSA-N 221.263 3.008 30 50 BGEA CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N=C2 100127478 DRGPKDLRGIADCN-UHFFFAOYSA-N 240.306 3.458 30 50 BGEA Cn1/c(=N/N=C2CCCC2)sc2ccccc21 4703509 JGQMTNSHEWIHBL-SQFISAMPSA-N 245.351 3.071 30 50 BGEA Cc1ccccc1C(=O)[C@@H]1O[C@H]1c1ccccc1 45068361 JKFABLSQTUYOLQ-HOTGVXAUSA-N 238.286 3.318 30 50 BGEA COc1ccc(F)cc1-c1cccc(C#N)c1 85477106 IMWQMJHDSLAUSV-UHFFFAOYSA-N 227.238 3.373 30 50 BGEA in-vitro C=C1CC(COc2cccc3ncoc23)C1 2325783685 UNNFAAHHNMCWJW-UHFFFAOYSA-N 215.252 3.173 30 50 BGEA N#Cc1c(-c2ccccc2)ccnc1Cl 170256 GYTQTBOCDGGMRW-UHFFFAOYSA-N 214.655 3.274 30 50 BGEA in-vitro O=[N+]([O-])c1cccc(/N=C/c2ccc(O)cc2)c1 18045746 OXFQFCDTVMAGCJ-NTEUORMPSA-N 242.234 3.051 30 50 BGEA C=CCOC(=O)Nc1ccc(C)c(Cl)c1 2170890 PXIVNZAKRUPLHM-UHFFFAOYSA-N 225.675 3.383 30 50 BGEA C=CC#CC(C)(C)c1ccc(OC(C)=O)c(C)c1 2908814 STKDGXQGIWXTNQ-UHFFFAOYSA-N 242.318 3.387 30 50 BGEA O=C(/C=C/c1cccs1)c1ccccn1 25664385 SCYJTOXGAXKLKG-VOTSOKGWSA-N 215.277 3.039 30 50 BGEA NCCCCCCCCCCCS 38585283 DIXRLQJYISYSEL-UHFFFAOYSA-N 203.395 3.386 30 50 BGEA C=CCN(CC(C)C)c1cccc(O)c1 494547691 WOEKJCYDDIDQJM-UHFFFAOYSA-N 205.301 3.041 30 50 BGEA Cc1ccc(C(=O)/C=C/Nc2ccccc2O)o1 468190 SIQMQWDJWSRVEM-CMDGGOBGSA-N 243.262 3.102 30 50 BGEA CC(C)(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 1624847 OAPXFIOFZBKQKD-BQYQJAHWSA-N 233.267 3.223 30 50 BGEA C=CCN1C(=O)c2ccccc2NC12CCCC2 41863743 XXEXHGGPYTVRMK-UHFFFAOYSA-N 242.322 3.011 30 50 BGEA N#Cc1ccnc(-c2cccc3[nH]ccc23)c1 67472884 FNTXFRCVUBJWOT-UHFFFAOYSA-N 219.247 3.102 30 50 BGEA CCn1nccc1/C=C1\CCCC(C)(C)C1=O 178879718 NCMYQWOVRMCQIF-ZHACJKMWSA-N 232.327 3.066 30 50 BGEA C[C@@H]1CC=CC2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@]21C 220309589 BVLHCTFFMIUHGN-JWFUOXDNSA-N 216.324 3.370 30 50 BGEA biogenic Cc1cnc([C@@H](C)/N=C(/O)[C@H]2C[C@@H]2C2CC2)o1 328964484 LXWMMPSVGQGIAU-IEBDPFPHSA-N 234.299 3.047 30 50 BGEA N#Cc1ccc(-c2ccc(-c3cc[nH]n3)cc2)cn1 534653072 HGKZHVZPEJGDSD-UHFFFAOYSA-N 246.273 3.010 30 50 BGEA C=CCN(CC=C)C(=O)[C@H](CC)c1ccccc1 2742883 TVWUUBCNRFVEKI-OAHLLOKOSA-N 243.350 3.381 30 50 BGEA CN(C)c1ccc(C=Nc2ccccc2O)cc1 254569016 GJZBNSJPZKCNPU-UHFFFAOYSA-N 240.306 3.209 30 50 BGEA O=C(O)c1ccc(/N=C/c2cccs2)cc1 94557 NFKOTVHQEVUACX-MDWZMJQESA-N 231.276 3.197 30 50 BGEA CCO[P@@](=O)(c1ccccc1)C1(C#N)CCC1 444957 CJJXBPJGYZPWMV-KRWDZBQOSA-N 249.250 3.073 30 50 BGEA Clc1ccc(/N=C/c2cccnc2)cc1 101671553 JUFHEWBGUFHGPZ-OQLLNIDSSA-N 216.671 3.486 30 50 BGEA CCO[C@@H](C#N)c1ccc(F)cc1C(F)(F)F 167672897 IFNMVGVDNCMEHJ-JTQLQIEISA-N 247.191 3.446 30 50 BGEA CCCCCCCCCCCNC[C@@H](C)O 2532336 DTSCXJIXDCOKQK-CQSZACIVSA-N 229.408 3.488 30 50 BGEA Cc1ccc(/C=C/C(=O)c2cccnc2)cc1 4566655 XCSUPHNPDAJHIX-CMDGGOBGSA-N 223.275 3.286 30 50 BGEA Cc1cccc(N=Cc2ccc3c(c2)OCO3)c1 254304533 HXARNHXSXDBVCE-UHFFFAOYSA-N 239.274 3.474 30 50 BGEA N#Cc1cc(OC(F)F)cc(C(F)(F)F)c1 263623772 KPGFCFQNQOIEAZ-UHFFFAOYSA-N 237.127 3.178 30 50 BGEA C(#Cc1cccc2c1CCCC2)c1ccccn1 1875302990 QEYVDFAUGMTFND-UHFFFAOYSA-N 233.314 3.360 30 50 BGEA CC(=O)CC[C@@H]1[C@H]2CC(=C(C)C)C(=O)C[C@@]12C 5158468 HUZJLWLCLJEXEL-NFAWXSAZSA-N 234.339 3.307 30 50 BGEA endogenous,in-man CN(C)/C=N/Cc1ccc(Cl)c(Cl)c1 96027244 OBRWFXDIIASLAK-NTUHNPAUSA-N 231.126 3.083 30 50 BGEA C=C(C)CNC(=O)Nc1ccc2[nH]c(C)cc2c1 157331204 QSNMFQUJAQRSSK-UHFFFAOYSA-N 243.310 3.174 30 50 BGEA C[Si](C)(C)C#Cc1cccc2cccnc12 169746782 XVZWHRINBPKZJS-UHFFFAOYSA-N 225.367 3.464 30 50 BGEA C=CCN([Si](C)(C)C)[Si](C)(C)C 169808223 CVNCFZIIZGNVFD-UHFFFAOYSA-N 201.462 3.144 30 50 BGEA Cc1cccc(C(=O)Oc2ccc(C#N)cc2)c1 4809010 MXIPYKKEKKPXKQ-UHFFFAOYSA-N 237.258 3.086 30 50 BGEA N#CC1(c2ccc(Br)cc2)CCC1 9189801 DZWFVACFASLQKS-UHFFFAOYSA-N 236.112 3.394 30 50 BGEA CCC/C(=N\O)c1c[nH]c2ccccc12 18105769 CXRSAJALXDIHPI-WYMLVPIESA-N 202.257 3.146 30 50 BGEA C=C1C[C@@]2(O)O[C@@]3(C[C@H]2C(C)C)[C@@H](C)CC[C@@H]13 70466453 QRMPRVXWPCLVNI-YYFQZIEXSA-N 236.355 3.112 30 50 BGEA biogenic,in-vitro N#C[C@H]1CCc2ccc(Br)cc21 75629464 QGGQTBOUQXJQHA-MRVPVSSYSA-N 222.085 3.002 30 50 BGEA CSc1nccc(Nc2ccccc2)c1C#N 198131 HUYFPEVZNOMRGY-UHFFFAOYSA-N 241.319 3.419 30 50 BGEA Nc1ccc(C(=O)/C=C/c2cccs2)cc1 16971171 HHVJZBJZYSXOBE-BQYQJAHWSA-N 229.304 3.226 30 50 BGEA CCC(Cl)=NOC(=O)Nc1ccccc1F 245328244 UOQQZSOLDXMFNG-UHFFFAOYSA-N 244.653 3.337 30 50 BGEA COc1ccccc1Oc1ccccc1C#N 20077522 INSAUYYJGYIOIP-UHFFFAOYSA-N 225.247 3.359 30 50 BGEA Cc1ccc2nc(SCCC#N)nc(C)c2c1 2280639 GGVSFEDTFFEXJK-UHFFFAOYSA-N 243.335 3.252 30 50 BGEA O=C(/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 5601127 ZLDNVNUDRJJGII-SOFGYWHQSA-N 243.218 3.084 30 50 BGEA CC(C)=CCC[C@H](C)[C@H]1CC(=O)C(C)=C[C@@H]1O 238770522 YDCNFZXDPQSPKG-LNSITVRQSA-N 236.355 3.265 30 50 BGEA biogenic O=C1/C(=C/c2cccs2)Oc2cc(O)ccc21 537578 WIIIBLSEONHCHJ-GHXNOFRVSA-N 244.271 3.070 30 50 BGEA C#Cc1ccc(NC(=O)c2ccc(C)cc2)cc1 4088040 KIAYEZOBJYIXID-UHFFFAOYSA-N 235.286 3.229 30 50 BGEA CCCCCCCCC(=O)NCc1cccnc1 43273858 ZUIKVWQOKQAVEG-UHFFFAOYSA-N 248.370 3.448 30 50 BGEA O=C1/C(=C/c2ccco2)C[C@@H]2CCCC[C@H]12 4532362 WYPCTYNXEASQHE-WIMICBDTSA-N 216.280 3.442 30 50 BGEA CC(=O)/C(=C/N(C)C)Sc1ccc(C)cc1 12955056 DSRNZLZIGPMMBK-LCYFTJDESA-N 235.352 3.079 30 50 BGEA CC[C@@H]1CC[C@](C=O)(Cc2cccnc2)C1 316689702 AZDKDUZQELQIPI-TZMCWYRMSA-N 217.312 3.020 30 50 BGEA N#CCCCCN1CC=C(c2ccccc2)CC1 2168158 NJECJNQSVPBQTO-UHFFFAOYSA-N 240.350 3.470 30 50 BGEA CC1=NC(=S)[C@@H](C#N)C(c2ccccc2)=C1 4006080 ZBUVYMDJEBOAQD-LBPRGKRZSA-N 226.304 3.012 30 50 BGEA C#Cc1ccc2[nH]c3ccc(C#C)cc3c2c1 96029568 JNLNYORJQOYKHH-UHFFFAOYSA-N 215.255 3.284 30 50 BGEA in-vitro C=C(C)C[C@H](C)C(=O)NCC=C(Cl)Cl 585127426 ZZLHHGGOBRPGLV-QMMMGPOBSA-N 236.142 3.024 30 50 BGEA N#Cc1cc(C2CC2)c(Br)s1 1848351059 MEAXQLSOEINYBX-UHFFFAOYSA-N 228.114 3.260 30 50 BGEA C=C1CCC[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12 15207329 OQYBLUDOOFOBPO-KCQAQPDRSA-N 232.323 3.385 30 50 BGEA biogenic,in-vitro CC1=NN(C(C)(C)C#N)[C@H](c2ccccc2)C1 1441894 LYNZXUTZGUZPMI-ZDUSSCGKSA-N 227.311 3.111 30 50 BGEA CC(Cl)=NOC(=O)Nc1cccc(Cl)c1 252431042 ZOKHSMRSYFJUPI-UHFFFAOYSA-N 247.081 3.461 30 50 BGEA N#Cc1ccc(OC(F)F)cc1C(F)(F)F 263625410 ZRAVSHKVDPPJGH-UHFFFAOYSA-N 237.127 3.178 30 50 BGEA C=CCSc1nc2c(C)cccc2[nH]1 6748341 KGYXMMMCAZLFDN-UHFFFAOYSA-N 204.298 3.149 30 50 BGEA N#Cc1cc(C#N)c(Cl)c(Cl)c1Cl 218064612 LWCRKZIWQYYHIC-UHFFFAOYSA-N 231.469 3.390 30 50 BGEA CCCCCCCCCCCC(=O)NC(N)=O 2173280 WPXLVFJLKUOCQC-UHFFFAOYSA-N 242.363 3.102 30 50 BGEA C=C(C)C(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 12363775 IAXXETNIOYFMLW-SUNKGSAMSA-N 222.328 3.321 30 50 BGEA Cn1ccc(/C=C/C(O)=Nc2ccccc2F)c1 328595056 JPPXCBZIAMODHL-VOTSOKGWSA-N 244.269 3.466 30 50 BGEA CCc1ccc(CN2CCC[C@](C)(C#N)C2)s1 612405574 AKVFSQQPICMVGC-CQSZACIVSA-N 248.395 3.436 30 50 BGEA C=C(C)COc1ccc(C(=O)N[C@H](C)CC)cc1 12137994 MBYSHPFSQGTWEC-GFCCVEGCSA-N 247.338 3.170 30 50 BGEA CC1=CC(=C2C=C(C)C(=O)C(C)=C2)C=C(C)C1=O 100039024 QDRFIDSUGRGGAY-UHFFFAOYSA-N 240.302 3.234 30 50 BGEA C=C/C(O)=N/Cc1csc(-c2ccco2)n1 328597116 DOXBEMGFSPXYSW-UHFFFAOYSA-N 234.280 3.046 30 50 BGEA N#Cc1c(Cl)nsc1-c1ccccc1 67758 YLULGDCWLXHHOY-UHFFFAOYSA-N 220.684 3.335 30 50 BGEA C=CCOC(=O)Nc1c(C)cccc1Cl 2172177 MFKIHHDJYKVNQV-UHFFFAOYSA-N 225.675 3.383 30 50 BGEA COc1ccc(/C=C/C(=O)c2ccco2)cc1 3892549 QZZMZWWBSNSOIY-RMKNXTFCSA-N 228.247 3.184 30 50 BGEA biogenic CCCCCCCCC/C(C)=N\NC(N)=S 100294023 CTHYIBNFIXBWLA-KAMYIIQDSA-N 243.420 3.336 30 50 BGEA Cc1ccc(/C=C/C(=O)C2(O)CCCCC2)cc1 1424387 YOXUWHOVKSJEOP-MDZDMXLPSA-N 244.334 3.273 30 50 BGEA C=CCOC(=O)Nc1ccc(Cl)cc1C 2170887 IINMNXIRAIOSEW-UHFFFAOYSA-N 225.675 3.383 30 50 BGEA CO/N=C/CC(=O)c1ccc(Cl)c(Cl)c1 4073182 FCASRJOSKITIFV-WLRTZDKTSA-N 246.093 3.198 30 50 BGEA C=C[C@]1(O)C[C@]23CC=CC[C@]21CCCC3 45072757 XMGYJXQEJIJHSW-RDBSUJKOSA-N 204.313 3.204 30 50 BGEA N#CCc1cc(F)cc(Cl)c1Cl 263624501 RBHOJNWRZHEFGU-UHFFFAOYSA-N 204.031 3.199 30 50 BGEA C=C1[C@@H]2C(=O)OC[C@H]3[C@H]2[C@@H](C(C)C)CC[C@@]13C 1772820439 YRJUYCPYOZTNDX-KDBYPZKRSA-N 234.339 3.034 30 50 BGEA Cc1cccc(OCCCCS)c1C 3876698 TWPQWZFBZGHRHJ-UHFFFAOYSA-N 210.342 3.392 30 50 BGEA C=C[C@@H](C)C[C@@H](C)C/C=C\C(=O)OCC 44628628 OALONPCIDGTRJU-RXXFUPDVSA-N 210.317 3.344 30 50 BGEA N#Cc1ccc(-c2ccc(Cl)cc2)o1 406174 JTGMARZVNVXBRE-UHFFFAOYSA-N 203.628 3.472 30 50 BGEA in-vitro Cc1nc([C@H](C#N)c2ccccc2)cs1 3174552 HJFPRMHVHXBKFI-LLVKDONJSA-N 214.293 3.107 30 50 BGEA CC[C@@H](C)/N=C(/S)Nc1ccc(F)cc1 13522161 YVLNWRSSHYJPGI-MRVPVSSYSA-N 226.320 3.322 30 50 BGEA COc1ccccc1NC1=CC(=O)CC(C)(C)C1 18204407 PDZCNDFHIMRRJQ-UHFFFAOYSA-N 245.322 3.380 30 50 BGEA C=CC[C@@]1(C)C(C)=NN=C1c1ccccc1 45071267 DGSHHPXJNKJFMX-AWEZNQCLSA-N 212.296 3.448 30 50 BGEA N#Cc1cccc(/C=C/c2ccccc2)n1 65462690 MXYRHLHQIBBEKY-MDZDMXLPSA-N 206.248 3.124 30 50 BGEA Cc1ccccc1/C=N/C(=O)OC(C)(C)C 100246619 WNCIPIOGTZEGJI-NTEUORMPSA-N 219.284 3.349 30 50 BGEA C=C[C@@]12CC[C@@H](C[C@]1(O)/C=C/C)C2(C)C 308698397 PNNSFKHAZNHGLQ-KBPDMQAOSA-N 206.329 3.306 30 50 BGEA C=C/C(O)=N/Cc1ccc2c(c1)C(C)(C)C(O)=N2 328598985 POHAIOXGFZVPKE-UHFFFAOYSA-N 244.294 3.208 30 50 BGEA C=CC[N@+](C)(CC#CC1CC1)C1CCCCC1 820499564 HXOFBMPUBSWYJM-QGZVFWFLSA-N 232.391 3.365 30 50 BGEA C=C([C@H](O)[C@@H]1CC=CCC1)[Si](C)(C)C 169828221 SPDHOHKXTFWTGG-NEPJUHHUSA-N 210.393 3.137 30 50 BGEA CCCCCCCCN1C=CN(C)[C@H]1C 242687735 UTIVYPYHYFXWEK-CYBMUJFWSA-N 210.365 3.412 30 50 BGEA N#Cc1sccc1-c1ccccc1C=O 725245471 IZOZRCJPCBQZNF-UHFFFAOYSA-N 213.261 3.099 30 50 BGEA O=C1/C(=C/c2cccs2)COc2ccccc21 84805 ZNSDCNJMPKNYLO-CSKARUKUSA-N 242.299 3.407 30 50 BGEA Cc1ccc(/C=N/c2ccc(N(C)C)cc2)o1 18039893 KYSKTXFRIGTWOQ-XNTDXEJSSA-N 228.295 3.405 30 50 BGEA N#Cc1ccc2nc(-c3cccs3)[nH]c2c1 84847054 CKWJNCCUXIRAOO-UHFFFAOYSA-N 225.276 3.163 30 50 BGEA in-vitro N#CCCC(C#N)(CCC#N)c1ccccc1 1730533 KVDYEBISIZWSRT-UHFFFAOYSA-N 223.279 3.056 30 50 BGEA in-vitro C=CCOCC(F)(F)C(F)(F)C(F)(F)F 2386433 OLXJWIOOAUUDHX-UHFFFAOYSA-N 240.118 3.022 30 50 BGEA in-vitro C(=N/N=C/c1ccsc1)\c1ccsc1 1711635 GOWRAELJMIBCNE-YDWXAUTNSA-N 220.322 3.263 30 50 BGEA C=C1C[C@@]2(O)O[C@@]3(CC2=C(C)C)[C@@H](C)CC[C@@H]13 15160861 DEBDFZGNZTYPMF-NZBPQXDJSA-N 234.339 3.177 30 50 BGEA endogenous,in-man C=CCCN(CCC=C)C(=O)OC(C)(C)C 98181766 VEUSUZLSPSGFLS-UHFFFAOYSA-N 225.332 3.376 30 50 BGEA in-vitro CCC(=N\O)/C(C)=C/c1ccc(F)cc1 100240022 HKROEBDHHKMNBZ-CHBKHGQFSA-N 207.248 3.469 30 50 BGEA in-vivo C=C(Cl)CSc1nnc(C2CC2)s1 173950353 NOXYSPZMOAXMOU-UHFFFAOYSA-N 232.761 3.260 30 50 BGEA N#C[C@H](c1ccccc1)c1cccc(Cl)n1 169620 GETLPXGITMSNKU-LLVKDONJSA-N 228.682 3.390 30 50 BGEA in-vitro C=CCn1c(-c2ccc(C)cc2)n[nH]c1=S 5061343 ZHSGDTYCPUCKAU-UHFFFAOYSA-N 231.324 3.102 30 50 BGEA in-vitro N#Cc1ccc(Br)c(Cl)c1F 36532746 PQFMVBRXNPGOQP-UHFFFAOYSA-N 234.455 3.113 30 50 BGEA C[C@]12C=CC3=CC(=O)CC[C@H]3[C@@H]1CC=CC2 4831139 FXOUFKCTHRODGA-ILXRZTDVSA-N 214.308 3.434 30 50 BGEA C/C(=N\Nc1ccccc1)c1ccccc1O 15635798 VPJDCAQEVSDRFN-RVDMUPIBSA-N 226.279 3.228 30 50 BGEA CSc1cc(Br)cc(C#N)c1 230278452 MMCOQWZRPLXUAO-UHFFFAOYSA-N 228.114 3.043 30 50 BGEA C[Si](C)(C)C#Cc1ccc2c(c1)CCC2 169984839 WTMAPKFZBYXACU-UHFFFAOYSA-N 214.384 3.404 30 50 BGEA Cc1ccc(/C=C\C(=O)c2ccncc2)cc1 4567010 HKHRLQXSRFTACT-SREVYHEPSA-N 223.275 3.286 30 50 BGEA CCc1cccc2cc(C#N)c(Cl)nc12 11985211 XLZCPZRZKGVZIP-UHFFFAOYSA-N 216.671 3.322 30 50 BGEA N#C[C@@H](c1ccccc1)N1CCCCCC1 34924993 MDTVIWLDOORMEX-AWEZNQCLSA-N 214.312 3.127 30 50 BGEA in-vitro N#Cc1cc(Cl)c(Cl)cc1OC(F)F 263622740 ALENEAMVXBSSSU-UHFFFAOYSA-N 238.020 3.466 30 50 BGEA O=C(C=C(Cl)Cl)c1cccc([N+](=O)[O-])c1 436355 OGORZYUCNNDKIC-UHFFFAOYSA-N 246.049 3.097 30 50 BGEA O=[N+]([O-])c1ccccc1N/N=C/c1ccccc1 4353134 AOYCIAVJXPWISL-GXDHUFHOSA-N 241.250 3.041 30 50 BGEA C=CCNCCCCCOc1ccccc1OC 5004930 ZEDZXUCWOYVISB-UHFFFAOYSA-N 249.354 3.020 30 50 BGEA C=CCCCC(=O)Nc1ccccc1C 2810272 GMOZQTQCBBQMQI-UHFFFAOYSA-N 203.285 3.290 30 50 BGEA N#Cc1c(F)ccc(Br)c1Cl 146584715 ODUWWKCYNUBYRT-UHFFFAOYSA-N 234.455 3.113 30 50 BGEA N#CCc1cccc(-c2ccccc2Cl)n1 259055806 AKNAKBBWMDAWSH-UHFFFAOYSA-N 228.682 3.468 30 50 BGEA in-vitro C=C(C)COc1ccc2oc(C)c(C(=O)O)c2c1 307717 ZUXSCCJQOVGQMH-UHFFFAOYSA-N 246.262 3.394 30 50 BGEA biogenic Cc1ccc(C)n1-c1ccsc1C(=O)CC#N 1406459 YETHLXCMIGDWQO-UHFFFAOYSA-N 244.319 3.252 30 50 BGEA C#CCn1c(-c2cccs2)nc2ccccc21 1428933 LZQUAATYENFJJN-UHFFFAOYSA-N 238.315 3.398 30 50 BGEA CCCCCCCC(=O)Nc1nccs1 100168494 NUODQUZAXZJLLP-UHFFFAOYSA-N 226.345 3.442 30 50 BGEA CC1=C(C)C(=O)[C@@](C)(c2ccccc2)[C@H](C)C1=O 4825689 NZWRFYFPTDOXFX-MLGOLLRUSA-N 242.318 3.069 30 50 BGEA C#Cc1cccc(C(=O)N(CCCC)C(C)C)c1 20109803 YTCLMXNCRXVUKQ-UHFFFAOYSA-N 243.350 3.319 30 50 BGEA C/C(=N/O)c1cc(Cl)ccc1Cl 57324251 NGCAIVDLWOTIRL-WZUFQYTHSA-N 204.056 3.192 30 50 BGEA CCN1CCS/C1=C/C=Nc1ccccc1 254704927 ZZNHMAPPYVSADI-UVGNWNSDSA-N 232.352 3.299 30 50 BGEA N#Cc1ccc(SCc2cc[nH]n2)c(Cl)c1 336398147 ZFDGLJDHXPNCJI-UHFFFAOYSA-N 249.726 3.227 30 50 BGEA N#C[C@H](Cc1ccccc1)Sc1ccccn1 600874883 FWMIYCPRZULAOP-ZDUSSCGKSA-N 240.331 3.309 30 50 BGEA O=C1C=C(c2ccccc2)C(=O)c2ccccc21 290868 CIDYIYSNDAJNGX-UHFFFAOYSA-N 234.254 3.149 30 50 BGEA Fc1c(F)c(F)c(C(F)(F)F)c(F)c1F 2022412 USPWUOFNOTUBAD-UHFFFAOYSA-N 236.061 3.401 30 50 BGEA in-vitro O=Cc1ccc(F)cc1C#Cc1ccccc1 138717487 DQWGIUIRDYPGKU-UHFFFAOYSA-N 224.234 3.038 30 50 BGEA C=C1C[C@@]2(O)O[C@]3(CC2=C(C)C)[C@H]1CC[C@H]3C 15160860 DEBDFZGNZTYPMF-PAPYEOQZSA-N 234.339 3.177 30 50 BGEA endogenous,in-man C=CCc1ccc(O[C@H]2CCCCO2)c(OC)c1 392624 IKCCQQBIAULDMO-HNNXBMFYSA-N 248.322 3.329 30 50 BGEA C/C(=N/Nc1ccccc1[N+](=O)[O-])c1ccco1 4309726 RQKMCGSNJIIZGV-LCYFTJDESA-N 245.238 3.024 30 50 BGEA N#CCCCc1ccc(Br)cc1F 81991115 VYVVZEIJTZBUQD-UHFFFAOYSA-N 242.091 3.434 30 50 BGEA in-vitro C=CCNCc1cnc(C2CCCC2)s1 119576891 ZDUOTZBDXJHNHP-UHFFFAOYSA-N 222.357 3.076 30 50 BGEA CC[C@@H](CC#N)Nc1ccc(C(F)(F)F)cn1 225591712 QEDWNADLSOEUIR-VIFPVBQESA-N 243.232 3.205 30 50 BGEA N#Cc1ccc(OC(=O)Nc2ccccc2)cc1 396654 HCNDKZNEGZASFO-UHFFFAOYSA-N 238.246 3.169 30 50 BGEA C=CCc1cc(C=O)cc(OC)c1OCCCC 19091282 DUUDAGLUGZXHRC-UHFFFAOYSA-N 248.322 3.415 30 50 BGEA in-vitro N#CCc1c(F)cc(Cl)cc1Cl 263623070 DKWBINSZQWTLBC-UHFFFAOYSA-N 204.031 3.199 30 50 BGEA C=C(C)C1(C(=O)O)[C@H]2CC[C@H]1c1ccccc12 101037504 NLOZJNQTNWEEGC-STQMWFEESA-N 228.291 3.308 30 50 BGEA c1ccc(-c2ccccc2OC[C@@H]2CO2)cc1 1684250 DNVXWIINBUTFEP-ZDUSSCGKSA-N 226.275 3.131 30 50 BGEA in-vitro C=C(Br)C(F)(F)C(F)(F)F 2242927 AAYAPGNGKQASNS-UHFFFAOYSA-N 224.954 3.093 30 50 BGEA in-vitro O=C(/C=C/c1ccccc1F)c1ccoc1 5771234 ASLWPEBMDDFAKS-AATRIKPKSA-N 216.211 3.315 30 50 BGEA C=C[C@@H](Sc1ccccc1)C(C)(C)O 39643722 PKFBPRCQXDGCNI-LLVKDONJSA-N 208.326 3.104 30 50 BGEA C=C(C)c1cc2cc(C(C)=O)c(O)cc2o1 3197734 OPUFDNZTKHPZHM-UHFFFAOYSA-N 216.236 3.374 30 50 BGEA biogenic,in-vitro N#Cc1ccc(-c2nc3ccccc3[nH]2)cc1 37387640 INIBMZLOCLDDMA-UHFFFAOYSA-N 219.247 3.102 30 50 BGEA in-vitro C[C@@H]1CCC[C@H](NCCCSCC#N)[C@@H]1C 162959122 SKYVDQHQRYXQAM-UPJWGTAASA-N 240.416 3.048 30 50 BGEA CCCCCCCCCCC(C(=O)O)C(=O)O 2037893 HCUZVMHXDRSBKX-UHFFFAOYSA-N 244.331 3.303 30 50 BGEA N#C/C(=N/c1ccccc1)c1ccccc1 100419413 NPUCOHNCJJHBCA-PEZBUJJGSA-N 206.248 3.331 30 50 BGEA N#Cc1cc(Br)c(Cl)s1 114904924 BKXFEGNKFAVCQM-UHFFFAOYSA-N 222.494 3.036 30 50 BGEA CC(C)=CCC1=CC(=O)c2ccccc2C1=O 4098662 OSDFYZPKJKRCRR-UHFFFAOYSA-N 226.275 3.348 30 50 BGEA biogenic,in-vitro C[C@@H]1CCC[C@@H](C)N1CCCCCC#N 44125919 UJUWSYVJYCEUOK-CHWSQXEVSA-N 208.349 3.333 30 50 BGEA N#C[C@@H](Cc1ccccc1)S[C@@H]1CCCOC1 611537993 PHZFHMBLMYLGJB-ZIAGYGMSSA-N 247.363 3.033 30 50 BGEA CNCCC[C@@](C#N)(c1ccccc1C)C(C)C 5712011 VTFYVPYYPOIEIU-INIZCTEOSA-N 244.382 3.412 30 50 BGEA C(=N\CC/N=C\c1ccccc1)\c1ccccc1 18031482 QBAKBJNOARBSGP-JTFWXBGUSA-N 236.318 3.225 30 50 BGEA CC(C)=NOC(=O)Nc1c(C)cccc1C 4776582 SSSNTQDROCBHMD-UHFFFAOYSA-N 220.272 3.248 30 50 BGEA C[C@@H]1C[C@@H]2CCCC[C@H]2N1CCCCC#N 247707756 ZIRPOEVAAJJRGV-HZSPNIEDSA-N 220.360 3.333 30 50 BGEA O=C1/C(=C/c2ccccc2)Oc2cc(O)ccc21 490758 KDGIFQNPGMXJCY-ZSOIEALJSA-N 238.242 3.008 30 50 BGEA biogenic Cc1ccc(/N=C/c2ccc(O)cc2O)cc1F 100003949 GMKGSMLWXBWFSQ-LZYBPNLTSA-N 245.253 3.296 30 50 BGEA CC1(C)OB(C2=Cc3ccccc3C2)OC1(C)C 170030680 GHLNFPJNICWOHP-UHFFFAOYSA-N 242.127 3.258 30 50 BGEA C=CCNC(=O)Nc1cccc(C(F)(F)F)c1 2147333 OKTPNRMYRNCHKG-UHFFFAOYSA-N 244.216 3.013 30 50 BGEA Oc1ccc(/N=C/C=N/c2ccc(O)cc2)cc1 3091552 ARIIAXPLJDKFOI-KAVGSWPWSA-N 240.262 3.203 30 50 BGEA Cc1ccccc1C(=O)[C@H]1O[C@@H]1c1ccccc1 45068364 JKFABLSQTUYOLQ-HZPDHXFCSA-N 238.286 3.318 30 50 BGEA CC(C)SCCN[C@H](C)c1cccc(C#N)c1 241161301 JZTDWXYKUARKQJ-GFCCVEGCSA-N 248.395 3.350 30 50 BGEA C=C1C[C@H](C)O[C@H](c2ccccc2O)C1 184036 OXEQMFZIMUHRTD-GWCFXTLKSA-N 204.269 3.188 30 50 BGEA biogenic CCCCCCC[C@@H](C(C)=O)C(=O)OCC 2160302 QPFZUKLNMHJNCE-LBPRGKRZSA-N 228.332 3.115 30 50 BGEA in-vitro COc1ccc(/N=C/c2ccccc2O)c(C)c1 2163577 KDCCAENNIQLCJC-MHWRWJLKSA-N 241.290 3.460 30 50 BGEA N#Cc1cc([N+](=O)[O-])ccc1Oc1ccccc1 3506333 FRGNJGLFPJYGLU-UHFFFAOYSA-N 240.218 3.259 30 50 BGEA Cc1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1 19730967 OIADGIDTZVRINS-UHFFFAOYSA-N 243.697 3.164 30 50 BGEA aggregator CO[C@]1(c2ccccc2)OC12CCCCC2 44125710 GYGHIMLKIFGIPK-CQSZACIVSA-N 218.296 3.219 30 50 BGEA N#CC1(c2cccc(Br)c2F)CC1 75927336 FRBDLRLXIFYAJC-UHFFFAOYSA-N 240.075 3.143 30 50 BGEA N#Cc1c(F)cccc1Oc1ccccc1 156989 FBHXELGUZCMKQY-UHFFFAOYSA-N 213.211 3.490 30 50 BGEA in-vitro C=CCn1c(-c2sccc2C)n[nH]c1=S 6557107 XSVDDETUZRLVNZ-UHFFFAOYSA-N 237.353 3.164 30 50 BGEA C[C@H]1CC/C(=C/c2ccccc2)C(=O)C1 36378933 VRMVOSCKNKKXDP-KBICQTFXSA-N 200.281 3.459 30 50 BGEA CC1=Nc2ccccc2NC2=C1C(=O)C[C@H](C)C2 100420793 UTOISACCYBNQIX-SECBINFHSA-N 240.306 3.458 30 50 BGEA CC(C)C(=O)/C=C1/Sc2ccccc2N1C 31776104 BTBCUXLMZAUKJX-MDWZMJQESA-N 233.336 3.295 30 50 BGEA CCC/N=C(\S)Nc1cc(C)ccc1C 2782701 TVONAZYYAZEJCH-UHFFFAOYSA-N 222.357 3.411 30 50 BGEA CC[C@@]1(c2ccccc2)CC[C@@H](C#N)C1=N 5431686 CBRZMQFBVYDRGV-FZMZJTMJSA-N 212.296 3.288 30 50 BGEA N#Cc1ccc2c(c1)[C@H]1C=C[C@H]2[C@H]2C=C[C@@H]21 101037099 FFGXWHCQENRNHP-UHXUPSOCSA-N 205.260 3.111 30 50 BGEA CC(C)c1cc(C#N)ccc1Br 694939948 CZIVFRGJCBTZIX-UHFFFAOYSA-N 224.101 3.444 30 50 BGEA N#Cc1ccc(NC(=O)Nc2ccccc2)cc1 151584 RTDYPTALPAUONC-UHFFFAOYSA-N 237.262 3.202 30 50 BGEA in-vitro CC1(C)CC(=O)C=C(Nc2ccc(O)cc2)C1 2481408 YOXNZHPNAXSUNO-UHFFFAOYSA-N 231.295 3.077 30 50 BGEA N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 2853353 YUNRKJHCHMIMLS-UHFFFAOYSA-N 240.218 3.259 30 50 BGEA in-vitro Cc1ccc(N2C(=N)c3ccccc3[C@@H]2C#N)cc1 3187604 IOJNEJJGASTYJW-HNNXBMFYSA-N 247.301 3.405 30 50 BGEA Cc1ccc(NC2=CC(=O)CCC2)cc1 4235204 VMGZMSSSOYIPIB-UHFFFAOYSA-N 201.269 3.044 30 50 BGEA biogenic C=C(C)[C@@H]1CC[C@@H](C)O[C@H]1CN1CCCCC1 4728806 HBGZKWRENUTODV-ILXRZTDVSA-N 237.387 3.232 30 50 BGEA O=C(/C=C/c1ccncc1)c1cccs1 13602122 ISLCBTXLQDSFPT-ONEGZZNKSA-N 215.277 3.039 30 50 BGEA C=CCC1(CSc2nncn2C)CCCC1 1775992379 RAQKSWHBUOXQRI-UHFFFAOYSA-N 237.372 3.044 30 50 BGEA C=CCOC(=O)Nc1ccccc1Cl 2161697 PBGOFQLVRXLEKB-UHFFFAOYSA-N 211.648 3.075 30 50 BGEA C=C(Cl)COc1ccsc1C(C)=O 188057784 YHNOMISFBWZWBH-UHFFFAOYSA-N 216.689 3.082 30 50 BGEA N#Cc1cnc(OC2CCCCC2)c(Cl)c1 238854415 NNOAZEFQNUHLBV-UHFFFAOYSA-N 236.702 3.318 30 50 BGEA CC(C)CNc1oc(-c2cccs2)nc1C#N 468135 AROVIPBRXRHWCJ-UHFFFAOYSA-N 247.323 3.343 30 50 BGEA C=CCCc1nc(C2CC2)nn1-c1ccccc1 65535654 LETSESKEDZYICY-UHFFFAOYSA-N 239.322 3.263 30 50 BGEA CC1(C)CC(=O)C=C(NCc2ccccc2)C1 100245228 CCAHMSNAFCNUPX-UHFFFAOYSA-N 229.323 3.049 30 50 BGEA in-vitro N#Cc1cccc2c1[C@H]1C=C[C@H]2[C@H]2C=C[C@H]21 247656170 PJEZRFGHVOICIA-CZXHOFHRSA-N 205.260 3.111 30 50 BGEA C[C@@H]1c2ccccc2CCN1c1ccc(C#N)cn1 267033948 BMGYWRAGXVONEV-GFCCVEGCSA-N 249.317 3.077 30 50 BGEA CC(=O)[C@](C#N)(Cc1ccccc1)c1ccccc1 1855179 NJQKSQKWNYLCIL-QGZVFWFLSA-N 249.313 3.280 30 50 BGEA C#CCSc1nc(C)c2cc(C)cc(C)c2n1 19819515 DYMKDUBHKNVEGG-UHFFFAOYSA-N 242.347 3.280 30 50 BGEA [N-]=[N+]=Nc1cccc(I)c1 36928136 LWYZABCCGZNMGK-UHFFFAOYSA-N 245.023 3.233 30 50 BGEA Cc1ncn(Cc2ccc(Cl)cc2C#N)c1C 186648056 FMSUSURZMSLJEE-UHFFFAOYSA-N 245.713 3.073 30 50 BGEA CC1CCN(/C(S)=N\C2CCCCC2)CC1 8670342 SWYIOQHIHRRJOV-UHFFFAOYSA-N 240.416 3.337 30 50 BGEA CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)C=CC[C@@H]21 101053021 VRTBMCNSNUKSFF-KZWBYHQPSA-N 202.297 3.124 30 50 BGEA O=C1C(=Cc2ccsc2)C(=O)c2ccccc21 2571079 LBTCAOFAELGQCZ-UHFFFAOYSA-N 240.283 3.211 30 50 BGEA N#CCc1ccc(Br)cc1Cl 83593248 MXZBZBHXAMJWMY-UHFFFAOYSA-N 230.492 3.169 30 50 BGEA in-vitro C=CCOC(=O)Nc1c(C)cccc1C 2172164 JGHOBSBIUZUUQU-UHFFFAOYSA-N 205.257 3.038 30 50 BGEA C[C@H](CC#CCN1CCCCC1)OC(C)(C)C 2485633 RDTUHWZIBQWJMA-CQSZACIVSA-N 237.387 3.069 30 50 BGEA C=C(C)CN(CC)Cc1c(F)cccc1F 4996367 QTYZMBRCRXLZAT-UHFFFAOYSA-N 225.282 3.363 30 50 BGEA CCCc1ccc(CN2CCC[C@](C)(C#N)C2)o1 670458296 SLFKLUPPIPULPC-OAHLLOKOSA-N 246.354 3.358 30 50 BGEA C#CCNc1cccc(C(F)(F)F)c1C 39320002 RBGCJANUIILTGQ-UHFFFAOYSA-N 213.202 3.059 30 50 BGEA C=C(C)COc1ccc(C(=O)NCCCC)cc1 10472048 JTWMGBLPTRUMIT-UHFFFAOYSA-N 247.338 3.171 30 50 BGEA CCOc1cccc(-c2ccc(C#N)nc2)c1 67910404 IWBFPFVKFQUYFQ-UHFFFAOYSA-N 224.263 3.019 30 50 BGEA C[Si](C)(C)C#Cc1c[nH]c2ccccc12 204679367 YSYLFGLCCVYDNH-UHFFFAOYSA-N 213.356 3.397 30 50 BGEA CCCCCCCC(=O)n1nnc2ccccc21 3065201 QIYQQEDMCSJOAC-UHFFFAOYSA-N 245.326 3.432 30 50 BGEA in-vitro C=CCNCCOc1cc(C)cc(C(C)C)c1 3461649 KGHFTSBEQZMPCN-UHFFFAOYSA-N 233.355 3.273 30 50 BGEA N#Cc1cccc(NC(=O)NC2CCCCC2)c1 613172 QAMZYFZMEVLDTQ-UHFFFAOYSA-N 243.310 3.012 30 50 BGEA CC1=N/C(=C/c2c[nH]c3ccccc23)C(=O)S1 22018495 BWYOISFEGIWONI-WUXMJOGZSA-N 242.303 3.201 30 50 BGEA C=C[C@H](O)CC1=C[C@H]2CC[C@@]1(C)C2(C)C 101141877 DSFSZDLHXIORJX-SCDSUCTJSA-N 206.329 3.306 30 50 BGEA C[C@H]1c2ccccc2CCN1c1ccc(C#N)cn1 267033949 BMGYWRAGXVONEV-LBPRGKRZSA-N 249.317 3.077 30 50 BGEA C/C=C/C=N\Nc1ncc(Cl)cc1Cl 22017742 IXOSCCWOCWSLEI-CHMMKSCTSA-N 230.098 3.362 30 50 BGEA C#CCOc1ccc(Cl)cc1Cl 3884070 KEIKGHHJUQTGSZ-UHFFFAOYSA-N 201.052 3.005 30 50 BGEA in-vitro CCO[C@@H](C#N)c1ccc2ccccc2c1 38435410 SERAXWXRCADJHK-AWEZNQCLSA-N 211.264 3.441 30 50 BGEA COc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1 75883 NRCVKUDLIIDNJU-UHFFFAOYSA-N 245.322 3.380 30 50 BGEA CSC1=N/C(=C\c2ccccc2C)C(=O)S1 199170 DBAXXEARRKRTJB-YFHOEESVSA-N 249.360 3.328 30 50 BGEA C=CCOc1ccccc1CN1CCCCC1 2893882 GETGLWVQIAIAHL-UHFFFAOYSA-N 231.339 3.237 30 50 BGEA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccco1 4754834 XQGGPQJTNGEAMV-VMPITWQZSA-N 243.218 3.084 30 50 BGEA O=[N+]([O-])c1cccc(/C=N/c2ccccc2)c1 18191179 FJAUVLILDZGNSX-GXDHUFHOSA-N 226.235 3.345 30 50 BGEA N#Cc1cc(OC(F)F)c(Cl)cc1Cl 263624838 UPLNHNUPBVXYSS-UHFFFAOYSA-N 238.020 3.466 30 50 BGEA C[Si](C)(C)C#Cc1cc(F)cc(F)c1 169746858 SJTKBXIQLYSMRR-UHFFFAOYSA-N 210.299 3.194 30 50 BGEA N#CCc1cccc(Br)c1Cl 238558976 JFZBZXFNUIULCL-UHFFFAOYSA-N 230.492 3.169 30 50 BGEA N#Cc1cncnc1Sc1ccc(Cl)cc1 304491311 QUFKZAARPIBXJX-UHFFFAOYSA-N 247.710 3.153 30 50 BGEA CC(C)(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 256774 UILQQNPNRHEZAP-RMKNXTFCSA-N 233.267 3.223 30 50 BGEA C=CCOc1ccc(CC)c(OCC=C)c1 2173109 ATKVOUAHHSOROI-UHFFFAOYSA-N 218.296 3.379 30 50 BGEA Cc1cccc(C=C2C(=O)c3ccccc3C2=O)c1 3122152 HFMFXEJUFXZOHP-UHFFFAOYSA-N 248.281 3.458 30 50 BGEA O/N=C/c1ccc(OCc2ccc(F)cc2)cc1 6926345 FCTDRQGBZUPIDG-CXUHLZMHSA-N 245.253 3.213 30 50 BGEA CC#CC(=O)N(C(C)C)[C@@H](C)c1ccsc1 1875377183 VCUBZLQVSUOZOB-NSHDSACASA-N 235.352 3.069 30 50 BGEA Cc1ccccc1/N=C/c1ccc(O)cc1 225739 HFXMDIDYYYEVHP-XNTDXEJSSA-N 211.264 3.451 30 50 BGEA C=C1C[C@H](O)C(C)(C)CC2=C(C)CC[C@H]12 6395502 USUJOTMVQQCVSM-YPMHNXCESA-N 206.329 3.450 30 50 BGEA C=CCNc1nc(-c2ccc(OC)cc2)cs1 2818062 AQVPCHXIIGFLID-UHFFFAOYSA-N 246.335 3.417 30 50 BGEA C=CCNC(=O)c1ccc(-c2ccccc2)cc1 5377321 MFBNTQOHQCMHBN-UHFFFAOYSA-N 237.302 3.269 30 50 BGEA Cc1ccccc1/C=N/Nc1ccccc1 4826032 UHDNVXKNEGVXBE-RVDMUPIBSA-N 210.280 3.441 30 50 BGEA FC(F)C(F)(F)C(F)(F)C(F)(F)Cl 95707853 NNMVWNQEVYZFRC-UHFFFAOYSA-N 236.489 3.354 30 50 BGEA Oc1ccccc1C=Nc1ccc(F)cc1 245238928 COFLOZFCNFCJFM-UHFFFAOYSA-N 215.227 3.282 30 50 BGEA ON=C(Cl)c1ccc(Cl)cc1Cl 255003939 GXBVZCSCOBTMHS-UHFFFAOYSA-N 224.474 3.368 30 50 BGEA CC(C)=NSc1ccc(C)cc1[N+](=O)[O-] 440806 MBNQRADWQYJBGW-UHFFFAOYSA-N 224.285 3.391 30 50 BGEA N#Cc1ccc(NCc2ccccc2Cl)cn1 149314751 ZGXGDVULNHFDOB-UHFFFAOYSA-N 243.697 3.219 30 50 BGEA CC(Cl)=NOC(=O)Nc1ccc(C)cc1 252430836 NRJKJMFPUGFIKJ-UHFFFAOYSA-N 226.663 3.116 30 50 BGEA CC[C@H](C)/N=C(/S)Nc1ccccc1OC 8684821 OVUDTCZDVUKMJP-VIFPVBQESA-N 238.356 3.191 30 50 BGEA CSC(=CC(=O)c1ccccc1)SC 398867 BKRQPGGEQSTJFK-UHFFFAOYSA-N 224.350 3.437 30 50 BGEA in-vitro C/C(=N/O)c1ccc(OCc2ccccc2)cc1 14442473 UAUVFOCINGKZOL-VBKFSLOCSA-N 241.290 3.464 30 50 BGEA CC(C)c1ccccc1B1OC(C)(C)C(C)(C)O1 169975935 HKCNIDDNQNFPLW-UHFFFAOYSA-N 246.159 3.109 30 50 BGEA CCC(Cl)=NOC(=O)Nc1ccccc1 252431051 ZVYMWMVLSDNEAT-UHFFFAOYSA-N 226.663 3.197 30 50 BGEA C/C=C/C(F)(F)C(F)(F)C(F)(F)F 2530854 HVOUHYGSLBPLGT-NSCUHMNNSA-N 210.092 3.395 30 50 BGEA C=CCc1cc(Cl)ccc1OCCNCC 6727441 XRIMNDPLQRMROT-UHFFFAOYSA-N 239.746 3.057 30 50 BGEA C=CC[C@@H](CC/C=C\CO)OCc1ccccc1 43763476 ACGFZWXRVCNNCQ-FAOGRTBUSA-N 246.350 3.477 30 50 BGEA C=CCOc1cccc2sc(C#N)cc12 214471291 YGVRDOMHOIFLLA-UHFFFAOYSA-N 215.277 3.338 30 50 BGEA C[C@H](CNc1ccc(C#N)cc1)c1nccs1 230610531 IIJSEMSLHGDDCD-SNVBAGLBSA-N 243.335 3.230 30 50 BGEA O=C(O)c1cccc(/N=C/c2cccs2)c1 576353 IJPHFFKXZSGFAS-MDWZMJQESA-N 231.276 3.197 30 50 BGEA COC1=CC(=O)[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2C1=C(C)C 257357313 NIVKAUJMNSOCCL-YXMPFFBPSA-N 232.323 3.098 30 50 BGEA C=CC(C)(C)CNC(=O)c1sccc1Cl 452785136 RFVZMVPVNWZCFO-UHFFFAOYSA-N 243.759 3.344 30 50 BGEA CC1(C)CCC/C(=C\c2cccc(C#N)n2)C1=O 864087289 RITHLBHEQJIIOU-PKNBQFBNSA-N 240.306 3.116 30 50 BGEA CC(C)Sc1nc(C(F)(F)F)ccc1C#N 4052771 BERFWSWURUMXLH-UHFFFAOYSA-N 246.257 3.473 30 50 BGEA CC(C)(C)/C=C/B1OC(C)(C)C(C)(C)O1 169904156 VTGDQOPDGQPGRO-CMDGGOBGSA-N 210.126 3.220 30 50 BGEA in-vitro O=C1CCCCCCCCCC[C@@H]1[N+](=O)[O-] 1578512 SIKBTEDZSLYKRA-NSHDSACASA-N 227.304 3.115 30 50 BGEA CC1(C)OB(/C=C/c2ccccc2)OC1(C)C 169743491 ARAINKADEARZLZ-ZHACJKMWSA-N 230.116 3.331 30 50 BGEA in-vitro N#Cc1cccc2c1[C@H]1C=C[C@H]2[C@@H]2C=C[C@H]12 216408863 PJEZRFGHVOICIA-MNXVOIDGSA-N 205.260 3.111 30 50 BGEA C=C/C(O)=N/[C@@H](c1ncc(C)s1)C1CC1 328594564 UXCOXYSUYYKMEQ-SNVBAGLBSA-N 222.313 3.045 30 50 BGEA C=C(C)C(=O)O[C@H]1C[C@@H](C)CC(C)(C)C1 56999 DABQKEQFLJIRHU-MNOVXSKESA-N 210.317 3.321 30 50 BGEA Cc1ccc(/C=N/C(=O)c2ccccc2)cc1 4828567 IRHCAUBIBLXRNO-LFIBNONCSA-N 223.275 3.254 30 50 BGEA Cc1cccc(/N=C2\NC[C@H](C)S2)c1C 4047801 AUCPOONERZTNGB-VIFPVBQESA-N 220.341 3.016 30 50 BGEA CC[C@]1(c2ccccc2)CC[C@H](C#N)C1=N 4826162 CBRZMQFBVYDRGV-BXUZGUMPSA-N 212.296 3.288 30 50 BGEA C[C@H]1C[C@@H](C)C(=O)C(/C=N/c2ccccc2)=C1O 6714090 VLPGMAMRLGEOCK-LJJSPEIYSA-N 243.306 3.446 30 50 BGEA N#Cc1sccc1-c1ccc(C=O)cc1 145129996 RTVJVFXBDKPRBQ-UHFFFAOYSA-N 213.261 3.099 30 50 BGEA CC1(C)OB(C2CCCCC2)OC1(C)C 169743485 OUEVCDGYTKLNMJ-UHFFFAOYSA-N 210.126 3.413 30 50 BGEA in-vitro CCOc1ccc2nc(Cl)c(C#N)cc2c1 11985196 DLSJCLCHOALFAO-UHFFFAOYSA-N 232.670 3.159 30 50 BGEA C=CCN(C)C(=O)c1[nH]c2ccc(C)cc2c1C 67883546 LIJIFVSAVKGNHC-UHFFFAOYSA-N 242.322 3.043 30 50 BGEA C[C@]12C(=O)C=C[C@H]1C[C@@]13C=CC[C@@H]1CC[C@H]32 71786392 STIUQTBVPYPEDH-SQLGEJSKSA-N 214.308 3.124 30 50 BGEA COc1ccc(/C=N/c2ccccc2OC)cc1 2165236 SXUUXRLGBUBJTH-LFIBNONCSA-N 241.290 3.454 30 50 BGEA Cc1ccc([C@@H]2CCCN2[C@H](C)CC#N)s1 240551674 GVHQEEZUPYJBRS-PWSUYJOCSA-N 234.368 3.496 30 50 BGEA c1ccc2c(c1)[C@H]1C[C@H]2[C@@]23O[C@]12[C@H]1CC[C@H]3C1 254773614 GGSPSFJXXSUPBZ-ABTPSQJZSA-N 224.303 3.209 30 50 BGEA Cc1ccc(C#Cc2cc(F)ccc2C=O)cc1 514251341 BDEXWXCUOIRBJP-UHFFFAOYSA-N 238.261 3.346 30 50 BGEA O=C1/C(=C/c2ccccc2)Nc2ccccc21 3001673 AKFPHXCDBVJHSP-UVTDQMKNSA-N 221.259 3.336 30 50 BGEA CC[C@@H]1CC[C@](C=O)(C[C@@H]2CCCOC2)C1 689423345 IXMHPCHOKONKKZ-HZSPNIEDSA-N 224.344 3.199 30 50 BGEA CC(C)=NOC(=O)Nc1cc(C)ccc1C 4775223 MSIWQTUGLRWPSO-UHFFFAOYSA-N 220.272 3.248 30 50 BGEA N#Cc1ccc(C(F)(F)F)c(OC(F)F)c1 263624886 UWUWVAZEGPRUAZ-UHFFFAOYSA-N 237.127 3.178 30 50 BGEA N#Cc1ccccc1COc1ccccc1 6697352 RFZUYPHTPWGIJU-UHFFFAOYSA-N 209.248 3.137 30 50 BGEA in-vitro O/N=C/CCn1c(=S)sc2ccccc21 100389906 MEYBFSNRQXGONK-IZZDOVSWSA-N 238.337 3.282 30 50 BGEA C/C(=N\O)c1ccc(OCc2ccccc2)cc1 100562530 UAUVFOCINGKZOL-FOWTUZBSSA-N 241.290 3.464 30 50 BGEA COc1ccccc1[C@H](C#N)c1ccccc1 34119401 YNNSBGXURZYSCV-CQSZACIVSA-N 223.275 3.351 30 50 BGEA CC(C)(C)c1nc2c(Cl)ncc(C#N)c2o1 66054456 ZHPGDUZRJLAWCR-UHFFFAOYSA-N 235.674 3.045 30 50 BGEA in-vitro COc1ccccc1/N=C/c1ccccc1 18128930 KQNRCALZUDYSKP-RVDMUPIBSA-N 211.264 3.446 30 50 BGEA c1ccc(COc2cccc([C@@H]3CO3)c2)cc1 71773887 MTDSMQMSFFLKLG-HNNXBMFYSA-N 226.275 3.337 30 50 BGEA C=CCc1cc(C)ccc1OCCNC(C)C 3001024 YUUNHVCXWMFVIL-UHFFFAOYSA-N 233.355 3.100 30 50 BGEA CC/C(=N\O)[C@@H](CC)c1ccc(OC)cc1 71774164 OFBDMMRJPBOJEK-FWJVZWRSSA-N 221.300 3.429 30 50 BGEA C=CC[C@H]1C=CC[C@H](CC=C)N1Cc1ncc[nH]1 210294594 KFNPGDORFRKHPC-KBPBESRZSA-N 243.354 3.061 30 50 BGEA C=C1CCC(OC(=O)c2ccccc2)CC1 399156 UAPPKNOIIGPMCJ-UHFFFAOYSA-N 216.280 3.342 30 50 BGEA CN(C)N=C1C=C(N2CCCCC2)CC(C)(C)C1 334157737 OWWKMNPPRNPJRQ-UHFFFAOYSA-N 249.402 3.094 30 50 BGEA Cc1cc(C(F)(F)F)cc(C#N)c1F 1772718385 ZQOVAIXHGZIQLW-UHFFFAOYSA-N 203.138 3.025 30 50 BGEA C=C(CC)C(=O)Nc1ccccc1CSC 1340194946 GIXRPFMPEZSSQM-UHFFFAOYSA-N 235.352 3.454 30 50 BGEA CN(C)c1ccc(/C=N/c2ccc(O)cc2)cc1 18105874 CRCUEIAXNOGFFZ-LFIBNONCSA-N 240.306 3.209 30 50 BGEA O/N=C/c1ccccc1OCc1ccccc1F 100895094 NVNWFMDMGZSJLR-CXUHLZMHSA-N 245.253 3.213 30 50 BGEA CC1(C)OB(C2Cc3ccccc3C2)OC1(C)C 169904125 YRTKSYXHFWUPAZ-UHFFFAOYSA-N 244.143 3.248 30 50 BGEA in-vitro CC1(C)[C@H]2CC(=NNc3ccc(F)nc3)C[C@@H]21 2325788213 SSMJDTPFNNMLPW-QWRGUYRKSA-N 233.290 3.055 30 50 BGEA CN(C)/C=N/C1(c2ccccc2)CCCCC1 1669346 HJPHTFKUFBODEC-DTQAZKPQSA-N 230.355 3.436 30 50 BGEA N#CCCCCCCCCCCC(=O)O 1689825 YKHZGLKQBYTRHO-UHFFFAOYSA-N 211.305 3.496 30 50 BGEA C=CCNc1nc(SC)nc2ccsc12 5527687 SSGOTSODPASPPU-UHFFFAOYSA-N 237.353 3.011 30 50 BGEA N#Cc1ccccc1[C@H](C#N)c1ccc(F)cc1 169017 BRHKEEJUFXPRIJ-OAHLLOKOSA-N 236.249 3.353 30 50 BGEA in-vitro OCCCCCCCCCCCS 4501366 ULGGZAVAARQJCS-UHFFFAOYSA-N 204.379 3.419 30 50 BGEA in-vitro N#Cc1ccc2c(c1)CO[C@@H]2c1ccc(F)cc1 8782781 YXCRMKYHFFMNPT-OAHLLOKOSA-N 239.249 3.317 30 50 BGEA in-vitro CC(C)CCCCCOC(=O)CCS 20231925 ZHUWXKIPGGZNJW-UHFFFAOYSA-N 218.362 3.066 30 50 BGEA Cc1ccc(CNC2=CC(=O)CC(C)(C)C2)cc1 313741 YOLUKRFOGUTOCB-UHFFFAOYSA-N 243.350 3.358 30 50 BGEA N#Cc1cccc(NC(=O)CC2CCCCC2)c1 859370 CAKMCGAIZYUPKK-UHFFFAOYSA-N 242.322 3.467 30 50 BGEA [O-]/[N+](=C/c1cccs1)c1ccccc1 5037758 ALCZFGAZFRVSDQ-FMIVXFBMSA-N 203.266 3.009 30 50 BGEA C=CC1CCN(C(=O)OCc2ccccc2)CC1 113873917 BKXGBWISORPRSG-UHFFFAOYSA-N 245.322 3.221 30 50 BGEA Cc1onc(-c2c(F)cccc2Cl)c1C#N 75571 ODJAAPYNVRPGAG-UHFFFAOYSA-N 236.633 3.314 30 50 BGEA in-vitro CCc1nc(S)c(C#N)c(C(F)(F)F)c1C 3653530 IKYGREJSMLDBTB-UHFFFAOYSA-N 246.257 3.132 30 50 BGEA CCc1cccc(NCc2ccc(C#N)o2)c1 135156858 FKUORYHMAGPCFF-UHFFFAOYSA-N 226.279 3.326 30 50 BGEA C(=N/c1nc2ccccc2[nH]1)\c1ccccc1 197656365 RUBUUMJLKCSOAX-XNTDXEJSSA-N 221.263 3.314 30 50 BGEA Cc1cc(C)c2nc(Cl)c(C#N)cc2c1 11985171 HIBWIMLJOVOQMM-UHFFFAOYSA-N 216.671 3.377 30 50 BGEA C=CCNc1oc(-c2ccccc2C)nc1C#N 2365693 BHVXNJIJVBYXIQ-UHFFFAOYSA-N 239.278 3.120 30 50 BGEA OCCC#Cc1ccc(C2CCCCC2)cc1 3199705 PNJRGDZUMNBBER-UHFFFAOYSA-N 228.335 3.468 30 50 BGEA Cn1c(/N=C/c2cccs2)nc2ccccc21 13111330 DBJPVRXEDJLFDX-NTEUORMPSA-N 241.319 3.385 30 50 BGEA C[C@@H]1CCC/C(=C\c2ccccc2)C1=O 31342992 OOXAOPCNIYOINQ-BVRAVYJCSA-N 200.281 3.459 30 50 BGEA C/C(=C\B1OC(C)(C)C(C)(C)O1)c1ccncc1 203616602 VLMMAHPZUXWTLR-ZHACJKMWSA-N 245.131 3.116 30 50 BGEA O=[N+]([O-])c1cccc(N=Cc2ccccc2)c1 254133983 HFGFPUPROHHWFT-UHFFFAOYSA-N 226.235 3.345 30 50 BGEA CC(C)CC1=C(Br)C(=O)CC1 306463323 LIBSRMFSBSWUHZ-UHFFFAOYSA-N 217.106 3.044 30 50 BGEA N#CCc1ccc(Cl)cc1C(F)(F)F 2527764 MLJVBFZNPNMMCP-UHFFFAOYSA-N 219.593 3.425 30 50 BGEA in-vitro N#Cc1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 4046782 XYKGVGODXVADPL-UHFFFAOYSA-N 245.282 3.211 30 50 BGEA N#Cc1ccc(Oc2ccc(C=O)cc2)cc1 12956576 PYODQZCRZBCXPW-UHFFFAOYSA-N 223.231 3.163 30 50 BGEA in-vitro N#Cc1ccc(Oc2ccc(C#N)cc2)cc1 50933 RSAUOQFEFINEDM-UHFFFAOYSA-N 220.231 3.222 30 50 BGEA biogenic Cc1cc(O)ccc1N/C=C/C(=O)C(C)(C)C 18143226 KIGPVVHWCDZGBO-BQYQJAHWSA-N 233.311 3.241 30 50 BGEA N#Cc1ccccc1Oc1ccc(F)cc1 20077516 OVQIIIWKDPJWGD-UHFFFAOYSA-N 213.211 3.490 30 50 BGEA COc1cc(C#N)cc(-c2ccc(C#N)cc2)c1 95495531 AKUOXSHFTRHIJY-UHFFFAOYSA-N 234.258 3.106 30 50 BGEA Cc1nnc(-c2cccc(C#N)c2)c2ccccc12 426674319 UIWKYSZMUWYOIB-UHFFFAOYSA-N 245.285 3.477 30 50 BGEA C#CC(C)(C)OC(=O)Nc1cccc(Cl)c1 617779 KTBHKZPSGVSLPP-UHFFFAOYSA-N 237.686 3.300 30 50 BGEA CCCCCCCCCCN1CCOCC1 2149876 KAXVRMIUQJXONY-UHFFFAOYSA-N 227.392 3.459 30 50 BGEA Cc1ccccc1CB1OC(C)(C)C(C)(C)O1 170026089 FXACVPIKPLPIBV-UHFFFAOYSA-N 232.132 3.169 30 50 BGEA C[C@]1(c2cc(Cl)ccc2Cl)O[C@@H]1C#N 306684562 CZTSCHPNJOBOMT-NXEZZACHSA-N 228.078 3.131 30 50 BGEA C=C(C)[C@@H]1CC=C(CN2C[C@H](C)O[C@H](C)C2)CC1 13468379 HABGVALJRPPCLM-IJEWVQPXSA-N 249.398 3.398 30 50 BGEA C[C@H](CS)[C@H]1CC[C@@H](C)[C@@H](S)C1 17311218 SUNXFMPZAFGPFW-IMSYWVGJSA-N 204.404 3.287 30 50 BGEA N/C(=N\O)c1cc2ccccc2c2ccccc12 2547386 ZDHLPYXRSPWJRR-UHFFFAOYSA-N 236.274 3.088 30 50 BGEA C=CCOc1ccc2c(CC)cc(=O)oc2c1C 2817839 WHHFYJKMBPSDBU-UHFFFAOYSA-N 244.290 3.229 30 50 BGEA C=CCNCCOc1c(C)ccc(C)c1Cl 4841180 RHECLTMVOCRXCK-UHFFFAOYSA-N 239.746 3.111 30 50 BGEA O=C(/C=C/c1ccccc1)c1ccccc1O 12359992 AETKQQBRKSELEL-ZHACJKMWSA-N 224.259 3.288 30 50 BGEA biogenic,in-vivo O=C(/C=C/Nc1ccccc1)c1ccccc1 100011869 KTJZOKJJOYMVPV-VAWYXSNFSA-N 223.275 3.495 30 50 BGEA C=CCSc1nc2ccc(OCC)cc2[nH]1 4893801 CQWSGRBKHOEZIF-UHFFFAOYSA-N 234.324 3.240 30 50 BGEA C=CCc1cc(C=O)ccc1OC(C)C 8728415 NJJRVKDNYKCNQO-UHFFFAOYSA-N 204.269 3.015 30 50 BGEA in-vitro Cc1cc(Cl)cc(CC#N)c1Cl 263624314 PGEWHIHOXRMOLB-UHFFFAOYSA-N 200.068 3.368 30 50 BGEA COc1ccccc1[C@H](CC#N)c1ccco1 316733 PQJUKRZKZIYOOZ-LBPRGKRZSA-N 227.263 3.334 30 50 BGEA C=C(C)CC(N)(CC(=C)C)c1ccncc1 4640254 DJJNSROLCANGEV-UHFFFAOYSA-N 216.328 3.168 30 50 BGEA N#Cc1c(N)nc2c(c1-c1ccccc1)CCCC2 19537752 MAOPIIGFJUIBSL-UHFFFAOYSA-N 249.317 3.081 30 50 BGEA C=C(C)CN(CC)Cc1ccc(N(C)C)cc1 23281532 XYCFFDHMHMNJLK-UHFFFAOYSA-N 232.371 3.151 30 50 BGEA N#Cc1cccc(-c2cccc3[nH]ncc23)c1 589963014 UXLPBVFUKLNNMS-UHFFFAOYSA-N 219.247 3.102 30 50 BGEA CC(=O)/C(=N/Nc1ccccc1)c1ccccc1 95851244 JYTCWOBSHCAHAQ-ICFOKQHNSA-N 238.290 3.092 30 50 BGEA CCCc1ccc(CN2CCC[C@@](C)(C#N)C2)o1 670458295 SLFKLUPPIPULPC-HNNXBMFYSA-N 246.354 3.358 30 50 BGEA O=[N+]([O-])c1ccccc1N/N=C/c1cccs1 5946021 FARJTYMPQDVECZ-XYOKQWHBSA-N 247.279 3.102 30 50 BGEA C=C[C@]12CCCC[C@@]1(C)C[C@H](C)C(=O)O2 71786114 GAPOHHGCAHQCRS-DRZSPHRISA-N 208.301 3.075 30 50 BGEA C=C1C=C[C@@H]([C@@H](C)CC(=O)C=C(C)C)C[C@@H]1O 1772820472 PMJSCQFALQJUCS-GUTXKFCHSA-N 234.339 3.041 30 50 BGEA CC(=O)/C=C/c1cccc(C(F)(F)F)c1 159694 WIFIQCQDQCBMCM-AATRIKPKSA-N 214.186 3.308 30 50 BGEA N#Cc1ccc(-c2ccccc2[N+](=O)[O-])cc1 2556910 LZUDBRIMDISCJM-UHFFFAOYSA-N 224.219 3.133 30 50 BGEA in-vitro C[C@]12C=CC3=CC(=O)CC[C@H]3[C@H]1CC=CC2 4831137 FXOUFKCTHRODGA-KFWWJZLASA-N 214.308 3.434 30 50 BGEA Cc1cc(C#N)c2cc(Br)ccc2n1 82467137 FMPCZQWTIDVKAA-UHFFFAOYSA-N 247.095 3.177 30 50 BGEA in-vitro COc1ccc(Oc2ccc(C#N)cc2)cc1 1405385 IXNXINOPSYVXPM-UHFFFAOYSA-N 225.247 3.359 30 50 BGEA in-vitro COc1c(F)c(F)c(C(F)(F)F)c(F)c1F 2525790 IZAURIRLQJRFML-UHFFFAOYSA-N 248.097 3.270 30 50 BGEA C=C1CCC[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@H]12 15207327 OQYBLUDOOFOBPO-VNHYZAJKSA-N 232.323 3.385 30 50 BGEA biogenic,in-vitro Cc1c(Cl)cc(Cl)cc1CC#N 263623333 GPWLSVNGQQNDKT-UHFFFAOYSA-N 200.068 3.368 30 50 BGEA CSC1=NC(C)(C)C[C@@]12C=CC(=O)C(C)=C2 33608 FKYOXLLRFFZWKD-ZDUSSCGKSA-N 235.352 3.002 30 50 BGEA N#C[C@H](C(=O)Cc1ccccc1)c1ccccc1 4826186 PGPFUKMIXWNORQ-HNNXBMFYSA-N 235.286 3.106 30 50 BGEA C/C(=N/OC(=O)[C@@H]1CC12CCC2)c1ccccc1 285777 ZNOFGACZSQXECG-RERGGYADSA-N 243.306 3.144 30 50 BGEA C=CCOc1ccc(CNC2CCCC2)cc1 6312980 LAUGUKVOMKVLLD-UHFFFAOYSA-N 231.339 3.284 30 50 BGEA C=C(F)C(OCCCC)OCCCC 39651291 UTRSLQKKQITHKR-UHFFFAOYSA-N 204.285 3.429 30 50 BGEA CC1(C)OB(/C=C/c2cccc(O)c2)OC1(C)C 306769274 ADAOHHDEEUWVKF-CMDGGOBGSA-N 246.115 3.037 30 50 BGEA C=CC[C@H](C)[C@H](C)Nc1cccc(CO)c1 191944406 SBSKGXDUZZQXAH-RYUDHWBXSA-N 219.328 3.192 30 50 BGEA C=CCC[C@H](C)NCc1nc2ccccc2o1 952877336 NUWHNUMCBCXTIX-NSHDSACASA-N 230.311 3.272 30 50 BGEA N#Cc1cc(-c2ccc(Cl)cc2)oc1N 3173481 MXGPVKXKRRYSCC-UHFFFAOYSA-N 218.643 3.054 30 50 BGEA N#CCc1cccc(-c2ccc(Cl)cc2)n1 259097714 FFEUXMNEDHKIQU-UHFFFAOYSA-N 228.682 3.468 30 50 BGEA in-vitro Fc1ccc(Cl)cc1C#CBr 888086760 DLVFTNXCJRFSEO-UHFFFAOYSA-N 233.467 3.183 30 50 BGEA N#Cc1cccc(Cl)c1-n1cccc1 4054838 XDRINMHJZSKXOJ-UHFFFAOYSA-N 202.644 3.002 30 50 BGEA CN(C)CC[C@H](C#N)c1cccc2ccccc12 31622828 XWDJWSFNFKEVBR-CQSZACIVSA-N 238.334 3.399 30 50 BGEA CCCCC#Cc1ccccc1C(=O)OC 34485094 TUCQESPRPRKMKB-UHFFFAOYSA-N 216.280 3.015 30 50 BGEA N#CCc1cc(Cl)ccc1Br 83593223 WFOFYTGSDGUGKN-UHFFFAOYSA-N 230.492 3.169 30 50 BGEA in-vitro O=C1C(=CNc2ccccc2)C(=O)c2ccccc21 100293213 RJWGMPWJKXQPAO-UHFFFAOYSA-N 249.269 3.062 30 50 BGEA C[C@H]1CCCC=C1B1OC(C)(C)C(C)(C)O1 202530571 APVRBTBASYOFBD-JTQLQIEISA-N 222.137 3.364 30 50 BGEA in-vitro ON=Cc1ccc(OCc2ccccc2)cc1 252394562 SLNVTNZIMUJWQW-UHFFFAOYSA-N 227.263 3.074 30 50 BGEA CC/C(=N\O)c1c(C)n(C)c2ccccc12 12341247 RMEWJAZWSZUDIS-SDNWHVSQSA-N 216.284 3.075 30 50 BGEA N#CC1(c2ccc(F)cc2)Cc2ccccc2C1 32004937 IEHWZAGUNCRMKL-UHFFFAOYSA-N 237.277 3.386 30 50 BGEA C=C[C@@]12CC[C@@H](C1)C(C)(C)C(=O)[C@]21CCCO1 43763680 KMYWBIHDCQRGGQ-NILFDRSVSA-N 234.339 3.117 30 50 BGEA N#C[C@@H]1CCc2ccc(Br)cc21 75629463 QGGQTBOUQXJQHA-QMMMGPOBSA-N 222.085 3.002 30 50 BGEA CC(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169935824 FURREIFIKVSTMH-UHFFFAOYSA-N 246.159 3.109 30 50 BGEA in-vitro C=CCCC[C@@H](C(=O)OC)c1ccccc1 43214784 PBAUAGYQNQJQJG-CYBMUJFWSA-N 218.296 3.300 30 50 BGEA CCc1ccccc1-c1cccc(C#N)n1 67692902 LMIZRBBJCGIUPD-UHFFFAOYSA-N 208.264 3.183 30 50 BGEA CC(C)=CCCB1OC(C)(C)C(C)(C)O1 169807837 WHSCXARPDWZZRD-UHFFFAOYSA-N 210.126 3.435 30 50 BGEA in-vitro O=C(O)c1ccccc1N=C1CCCCC1 20247238 WBBFFYZFRHFDIR-UHFFFAOYSA-N 217.268 3.421 30 50 BGEA CCCCCCCCCCCCOC(=O)CN 59158709 YVZRXRJDBYHNMK-UHFFFAOYSA-N 243.391 3.409 30 50 BGEA in-vitro N#Cc1sccc1-c1cccc(C=O)c1 725244860 ANOUNPQWXMCHFK-UHFFFAOYSA-N 213.261 3.099 30 50 BGEA CCCCCCCCCCP(=O)(O)O 1600124 DZQISOJKASMITI-UHFFFAOYSA-N 222.265 3.305 30 50 BGEA in-vivo C[C@H]1CCCCN1[C@@H](C#N)c1ccccc1 67738776 QHSUURFZKOEDDJ-JSGCOSHPSA-N 214.312 3.126 30 50 BGEA C=CCN(c1ccccc1)[S@](=O)C(C)(C)C 200964692 JPQMMXUTAXHFKN-MRXNPFEDSA-N 237.368 3.141 30 50 BGEA O=C(/C=C/Nc1cccc(F)c1)c1ccco1 531263 VBZQKIZMBYJYIF-VOTSOKGWSA-N 231.226 3.227 30 50 BGEA C=CCCCC(=O)Oc1ccc(F)cc1F 5283035 GVISLZIRBKDSSG-UHFFFAOYSA-N 226.222 3.227 30 50 BGEA COc1ccc(OC)c(/C=N/c2ccccc2)c1 17378422 RQHVOBHEIHXBLT-LFIBNONCSA-N 241.290 3.454 30 50 BGEA CN(C)/C=C/C(=O)c1cccc2ccccc12 20153827 RDBAXCVLDBZWEM-ZHACJKMWSA-N 225.291 3.098 30 50 BGEA N#Cc1ccccc1-c1nccn1Cc1ccoc1 71757029 RVAGPCZPOMURCZ-UHFFFAOYSA-N 249.273 3.063 30 50 BGEA COc1ccc(-c2ccc(C#N)cc2)cc1C#N 1512258 QAFNNLZSMCGJER-UHFFFAOYSA-N 234.258 3.106 30 50 BGEA C=C(C)C(=O)Nc1cccc2ccccc12 3163777 PTRVLELMDKQITQ-UHFFFAOYSA-N 211.264 3.354 30 50 BGEA COc1cc(-c2cccc(C#N)c2)ccc1F 85476999 VMTQTSKLMGAZFS-UHFFFAOYSA-N 227.238 3.373 30 50 BGEA in-vitro CC[C@@](C)(C#N)C(=O)NCC1CCCCCC1 332006842 PFBFVWGVXMEKNY-AWEZNQCLSA-N 236.359 3.013 30 50 BGEA N#Cc1cccc(-c2ccc(C#N)c(F)c2)c1 95495646 SXACQJMBFHFNJU-UHFFFAOYSA-N 222.222 3.236 30 50 BGEA C=C1[C@H]2CC[C@H](C[C@H]1C[N+](C)(C)C)C2(C)C 101053568 BDNMHGCJPSVMEL-BFHYXJOUSA-N 222.396 3.321 30 50 BGEA C=CCc1c(C(=O)OCC)[nH]c2ccccc12 138892080 LRWIIHHRNSTLNG-UHFFFAOYSA-N 229.279 3.073 30 50 BGEA C=CCN(CC=C)C(=O)Nc1ccccc1CC 397000 XGEQGDXFDXSPHK-UHFFFAOYSA-N 244.338 3.455 30 50 BGEA C[C@H](C#N)c1ccc(Br)cc1 19728859 FSSOXPFLDSMDKO-SSDOTTSWSA-N 210.074 3.076 30 50 BGEA in-vitro C=C[C@]1(C(F)(F)F)O[C@@H]1c1ccccc1 34278995 WCHCVYVBILPZQC-ZJUUUORDSA-N 214.186 3.245 30 50 BGEA in-vitro CNc1oc(-c2cccc3ccccc23)nc1C#N 542135 DYXYXTDIFMDJIR-UHFFFAOYSA-N 249.273 3.408 30 50 BGEA in-vitro CCCCCCOc1ccc(C#N)c(C#N)c1 2522739 BMXSATBWGFIAPA-UHFFFAOYSA-N 228.295 3.389 30 50 BGEA in-vitro Cc1ccc(/C=C/C(=O)c2ccc(N)cc2)cc1 16972023 KBRLAQKXYNXIGJ-IZZDOVSWSA-N 237.302 3.473 30 50 BGEA Cc1c(Cl)cc(CC#N)cc1Cl 205211253 WJQIBRBNWIXTFF-UHFFFAOYSA-N 200.068 3.368 30 50 BGEA CC(=O)C1=Cc2cc(Cl)cc(Cl)c2OC1 675082128 SWTSHADGSDHRLT-UHFFFAOYSA-N 243.089 3.358 30 50 BGEA N#Cc1sccc1-c1ccsc1C(=O)O 725246207 RQUCXVRAXRTMGX-UHFFFAOYSA-N 235.289 3.046 30 50 BGEA N#Cc1ccc([C@H](O)c2cccc(Cl)c2)cc1 85477523 XMKUXLMPAHGREV-AWEZNQCLSA-N 243.693 3.293 30 50 BGEA C[C@H]1CCCCN1[C@H](C#N)c1ccccc1 1078386736 QHSUURFZKOEDDJ-GXTWGEPZSA-N 214.312 3.126 30 50 BGEA C=CCOc1ccc(CNc2nccs2)cc1 2862171 BYCMJLUWFHDODS-UHFFFAOYSA-N 246.335 3.320 30 50 BGEA C=C(B1OC(C)(C)C(C)(C)O1)c1cccc(F)c1 170176562 JHYKXYAWAWZTCM-UHFFFAOYSA-N 248.106 3.470 30 50 BGEA ON=C1C[C@H](c2ccccc2)c2ccsc21 252452754 ABBGZYDQYWORFI-LLVKDONJSA-N 229.304 3.462 30 50 BGEA CCc1c(C)nc(C)nc1-c1ccc(C#N)cc1 534631163 QVNOZRFQQKQSKY-UHFFFAOYSA-N 237.306 3.195 30 50 BGEA C#Cc1ccc(Br)cc1C(F)(F)F 1563581335 XBSKTSNKBDXRQM-UHFFFAOYSA-N 249.029 3.449 30 50 BGEA Cc1ccccc1/N=C1\C[C@H](C)N(C)C[C@H]1C 4466949 QWTISDOHQBTPQV-MMEFHMBZSA-N 230.355 3.428 30 50 BGEA C=CCNc1cc(-c2ncco2)ccc1C 134939463 UBGCTOHHCWIXJS-UHFFFAOYSA-N 214.268 3.248 30 50 BGEA C=C(C)Cn1c(CC)nc2ccccc21 572585 LULRCJSRUYLFTG-UHFFFAOYSA-N 200.285 3.175 30 50 BGEA C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC=C(C)[C@@H]12 15264867 AVLOGKPJWQCTLP-IHRRRGAJSA-N 230.307 3.161 30 50 BGEA CC/C=C/C(=O)[C@]1(C)CCCC(C)(C)O1 102443327 JWYPBYFAKBZGAM-CFNZNRNTSA-N 210.317 3.260 30 50 BGEA N#Cc1ccc(Oc2cccc(C(=O)O)c2)cc1 281633 AZKSUIJUHZJOKF-UHFFFAOYSA-N 239.230 3.049 30 50 BGEA O=CC12C3c4ccccc4[C@@H]1[C@H]2c1ccccc13 104949539 BGPKEBKJLXTIIX-JCCCHCCOSA-N 232.282 3.212 30 50 BGEA CC(C)[Si](C#CC=O)(C(C)C)C(C)C 169747535 NXSXGYIMJNXQGE-UHFFFAOYSA-N 210.393 3.407 30 50 BGEA C=C(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3 2599158 FDYDISGSYGFRJM-UHFFFAOYSA-N 234.339 3.321 30 50 BGEA in-vitro COc1ccc(C)cc1-c1csc(N)c1C#N 12404911 GTJTYQGEIMNETD-UHFFFAOYSA-N 244.319 3.186 30 50 BGEA C=C(Br)CN(C)Cc1ccccc1 57753508 SPHHUCGYUGGGPF-UHFFFAOYSA-N 240.144 3.027 30 50 BGEA in-vitro C=C1C[C@]2(O)O[C@@]3(C[C@H]2C(C)C)[C@@H](C)CC[C@@H]13 100826314 QRMPRVXWPCLVNI-YTFOTSKYSA-N 236.355 3.112 30 50 BGEA endogenous,in-man C=C1N(Nc2ccccc2)C(=O)O[C@]1(C)CC 1426342 PDGRHSZQYHDZTG-CYBMUJFWSA-N 232.283 3.148 30 50 BGEA CCCCCCOc1ccc(C(=O)O)cc1C#N 2022870 DFPHFPFAZFPZDC-UHFFFAOYSA-N 247.294 3.216 30 50 BGEA C=CCN(CC=C)C(=O)/C=C/c1ccc(C)cc1 475128 XOMRBFNEYGQQLU-ZHACJKMWSA-N 241.334 3.209 30 50 BGEA C=CCNC(=O)Nc1cccc(Cl)c1Cl 2171361 BAQWKVLFYPACKE-UHFFFAOYSA-N 245.109 3.301 30 50 BGEA CCN1/C(=C/C(C)=O)Sc2ccc(OC)cc21 4793192 BGVLELSCIHASRV-QPEQYQDCSA-N 249.335 3.058 30 50 BGEA in-vitro N#Cc1c(F)cc(Br)cc1Cl 67802616 XNAXVVULCOGFOZ-UHFFFAOYSA-N 234.455 3.113 30 50 BGEA C=CC[C@H]1C=CC[C@H](CC=C)N1C(=O)NC(C)C 1615697396 KJIQRHUWOBSGHR-KBPBESRZSA-N 248.370 3.256 30 50 BGEA CCCCCCCCCCC[C@H](N)CO 100684747 MEIYPMYTGJCDFT-ZDUSSCGKSA-N 215.381 3.227 30 50 BGEA N#Cc1cccc2c1[C@H]1C=C[C@H]2[C@@H]2C=C[C@@H]12 230111022 PJEZRFGHVOICIA-FMSGJZPZSA-N 205.260 3.111 30 50 BGEA N#Cc1cccc(CN2C[C@H]3CCC[C@@H](C3)C2)c1 306007039 WEKQGWCDYLFOFR-HOTGVXAUSA-N 240.350 3.180 30 50 BGEA CC(C)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 1775956325 NGLRCSLJXJGKHV-VHSXEESVSA-N 210.126 3.125 30 50 BGEA Cc1ccc([N+](=O)[O-])cc1-c1ccc(C#N)o1 4868080 QMCZWCRHLOQVID-UHFFFAOYSA-N 228.207 3.035 30 50 BGEA Fc1ccc(C#Cc2ccc(F)cc2)cc1 202632 HFFUXLCRPYMGFM-UHFFFAOYSA-N 214.214 3.365 30 50 BGEA C=C[C@]1(O)C[C@@]23CC=CC[C@@]12CCCC3 45070923 XMGYJXQEJIJHSW-IHRRRGAJSA-N 204.313 3.204 30 50 BGEA CC[C@H]1CC/C(=N\Nc2cccc(C(=O)O)c2)C1 222154972 BUXJKZAOFAPGTG-CDSOTZFASA-N 246.310 3.363 30 50 BGEA N#CCCNCC1(c2ccccc2)CCCC1 2477224 FBSKDHFNPLQNGJ-UHFFFAOYSA-N 228.339 3.002 30 50 BGEA N#Cc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 2556911 QHWXJDVNOZETQM-UHFFFAOYSA-N 224.219 3.133 30 50 BGEA in-vitro C=C1CCN(C(=O)Nc2ccc(C)s2)CC1 225661074 JFVMNKJMFYKZBB-UHFFFAOYSA-N 236.340 3.240 30 50 BGEA CCn1ccc(-c2ccc([C@H](C)C#N)cc2)n1 2325778273 OJXNYOBTDFDSRV-LLVKDONJSA-N 225.295 3.197 30 50 BGEA C=C(C)COc1ccc(C(=O)NCC(C)C)cc1 6745867 MYJSPAMEXRUMDL-UHFFFAOYSA-N 247.338 3.027 30 50 BGEA N#CCN(Cc1ccsc1)c1ccccc1 130745828 CUUGKIBPSLEYOB-UHFFFAOYSA-N 228.320 3.278 30 50 BGEA N#CC1(c2cccc([N+](=O)[O-])c2F)CCCC1 261493622 GBICZEBHDFBSEI-UHFFFAOYSA-N 234.230 3.069 30 50 BGEA CC[C@@H]1CC[C@@](C=O)(C[C@H]2CCCOC2)C1 689423350 IXMHPCHOKONKKZ-MCIONIFRSA-N 224.344 3.199 30 50 BGEA Cc1ccc(-c2c(C)sc(N)c2C#N)cc1 34145 RHICPTFVQDHWOQ-UHFFFAOYSA-N 228.320 3.486 30 50 BGEA in-vitro C[C@@H]1CN(C)[C@H](C)C[C@@]1(C#N)Cc1ccccc1 35360328 ZLORDNQSUUOOKL-FMKPAKJESA-N 242.366 3.099 30 50 BGEA C=C1CC[C@]23CCC[C@]12C(=O)CC3(C)C 45028100 SGUDNJOABKFNNJ-UONOGXRCSA-N 204.313 3.492 30 50 BGEA O=C(C[n+]1ccc2ccccc2c1)c1ccccc1 1634285 LIAJGECMVWAMNA-UHFFFAOYSA-N 248.305 3.010 30 50 BGEA biogenic CC(C)C/N=C(/S)Nc1ccccc1F 8683700 AUAKUXNPCZZAQY-UHFFFAOYSA-N 226.320 3.179 30 50 BGEA N#Cc1c(-c2ccc(F)cc2)ccnc1Cl 8729764 ZAWJGGVQSMEJCE-UHFFFAOYSA-N 232.645 3.413 30 50 BGEA Cc1cccc(C)c1/N=C(/O)[C@@H]1CCCCN1 84316941 SILRCGDPZGQJOQ-LBPRGKRZSA-N 232.327 3.034 30 50 BGEA world C[C@]1(c2cc(F)c(Cl)cc2Cl)O[C@@H]1C#N 306470769 RDGKXUPJUWCXAM-NXEZZACHSA-N 246.068 3.270 30 50 BGEA CNc1ccc(-c2cc(Cl)cc(C#N)c2)cn1 1242566710 CVJATXIGSQGZAJ-UHFFFAOYSA-N 243.697 3.315 30 50 BGEA C=CCNCCOc1cc(C(C)C)ccc1C 3461178 OSWPXFRVDPPZDG-UHFFFAOYSA-N 233.355 3.273 30 50 BGEA C[C@H](C#N)Oc1c(Cl)cccc1Cl 11834666 IDAFCZRTKFHCGS-ZCFIWIBFSA-N 216.067 3.284 30 50 BGEA COc1c(C)cc(-c2cc(C#N)ccn2)cc1C 67649741 KNBWSKSBCUMTES-UHFFFAOYSA-N 238.290 3.246 30 50 BGEA CC(C)(C)c1ccc([C@]2(C)O[C@H]2C#N)cc1 309420811 BYRYLUJBFLUAET-JSGCOSHPSA-N 215.296 3.122 30 50 BGEA CC[C@@H](C)CC1=C(O)C(=O)c2ccccc2C1=O 4552428 OXYHMCFJQKEOSE-SECBINFHSA-N 244.290 3.314 30 50 BGEA N#CC1(c2ccc(-c3cc[nH]n3)cc2)CCCC1 67843483 DIBXQHOTSRYNCM-UHFFFAOYSA-N 237.306 3.412 30 50 BGEA C=C(B1OC(C)(C)C(C)(C)O1)c1ccccc1 169747234 RMGBWPMWUZSIMH-UHFFFAOYSA-N 230.116 3.331 30 50 BGEA in-vitro C=C(B1OC(C)(C)C(C)(C)O1)C(C)(C)C 196120380 CONKRSAWXKBHCF-UHFFFAOYSA-N 210.126 3.220 30 50 BGEA CCC(C)(C)C1CCC2(CC1)O[C@H]2C#N 307408398 MEWXKSHTWLCAQX-AKJDGMEZSA-N 207.317 3.274 30 50 BGEA ClC1(Cl)[C@]23CC=CC[C@]12C[C@@H]1O[C@@H]1C3 16137593 ZNMPIKYJPNQSHC-FIRGSJFUSA-N 231.122 3.058 30 50 BGEA C=CC[C@@H]1C=CC[C@@H](CC=C)N1Cc1ncc[nH]1 65470725 KFNPGDORFRKHPC-ZIAGYGMSSA-N 243.354 3.061 30 50 BGEA Cc1ccc(F)cc1CN1CCC[C@](C)(C#N)C1 612406239 KFTCHJSSDGVEME-OAHLLOKOSA-N 246.329 3.260 30 50 BGEA O=C(/C=C/c1c[nH]c2ccccc12)C(F)(F)F 2557924 NVKOBNNCHGLNGA-AATRIKPKSA-N 239.196 3.313 30 50 BGEA COc1ccc(-c2cccc(C#N)c2)cc1 1258951 ZTKOLNFZHPFQEJ-UHFFFAOYSA-N 209.248 3.234 30 50 BGEA C=C[C@@H](O)c1ccc2c(c1)Cc1ccccc1-2 4759510 NSVHJIZRVBHCQO-MRXNPFEDSA-N 222.287 3.477 30 50 BGEA ON=C(Cl)c1ccc(C(F)(F)F)cc1 257354481 YALQVNZAQRGNQE-UHFFFAOYSA-N 223.581 3.080 30 50 BGEA C=CC(=C)[C@@]1(O)C[C@@]2(C)CC[C@H]1C(=C)C2 257357433 NYRXEHAUQUYWRY-IHRRRGAJSA-N 204.313 3.226 30 50 BGEA CC1(C)CC(=O)C=C(Nc2ccccc2)C1 13656057 LIHRRTOWVCDHLR-UHFFFAOYSA-N 215.296 3.372 30 50 BGEA in-vitro N#Cc1cc(C(F)(F)F)ccc1OC(F)F 263623746 KJNWMRTXYHVDEB-UHFFFAOYSA-N 237.127 3.178 30 50 BGEA N#Cc1ccc(-c2ccsc2)cc1F 3883991 KDGWQDPBKBHHGI-UHFFFAOYSA-N 203.241 3.426 30 50 BGEA O=C(/C=C/c1ccccc1O)c1ccccc1 3894725 UDOOPSJCRMKSGL-ZHACJKMWSA-N 224.259 3.288 30 50 BGEA biogenic,in-vitro CC(C)(C#N)c1ccccc1Br 39198872 YTUDHLARHDCOIR-UHFFFAOYSA-N 224.101 3.250 30 50 BGEA in-vitro CCc1ccc(C#C[Si](C)(C)C)cc1 170157400 NADBKXSXWBPNBB-UHFFFAOYSA-N 202.373 3.478 30 50 BGEA COc1ccc2c(c1)CC[C@H]1CCC(=O)C=C21 196249520 PLWAOBDSGAUOMX-JTQLQIEISA-N 228.291 3.004 30 50 BGEA Nc1c(C(F)(F)F)cc(F)cc1C(F)(F)F 263624602 RWOPUIBPFHLOSU-UHFFFAOYSA-N 247.113 3.446 30 50 BGEA CN(C)/C=N/c1sc2c(c1C#N)CCCCC2 100758499 JEIAUYARXNNCFA-OQLLNIDSSA-N 247.367 3.110 30 50 BGEA C=C(C)C[C@@H](C)C(=O)N1CC=CC12CCCC2 585128970 SKQRVDPVETYMOA-CYBMUJFWSA-N 233.355 3.300 30 50 BGEA COc1c(Cl)cc(Cl)c(CC#N)c1F 725239951 MEBBOUVUKRHSGX-UHFFFAOYSA-N 234.057 3.207 30 50 BGEA C=CCCC(=O)Nc1cc(C(F)(F)F)ccn1 180582038 HWULQWVQOUACJE-UHFFFAOYSA-N 244.216 3.005 30 50 BGEA N/N=C/c1ccc(-c2cccc3ccccc23)o1 22204989 LIEUIBASFANCEQ-LICLKQGHSA-N 236.274 3.392 30 50 BGEA O=[N+]([O-])c1ccc(N=Cc2ccccc2)cc1 254746200 NYJOAZXGKLCRSV-UHFFFAOYSA-N 226.235 3.345 30 50 BGEA C#C[C@@H]1CCCC[C@@H]1OC(=O)Oc1ccccc1 404623 CAZHVEZNSQMSHQ-OCCSQVGLSA-N 244.290 3.394 30 50 BGEA O=C(/C=C/C(=O)c1cccs1)c1cccs1 1861879 URUZPYOPRCOJJA-AATRIKPKSA-N 248.328 3.431 30 50 BGEA C(=N\Nc1ccccn1)\c1ccc2c(c1)CCC2 33721133 NDCXQSUCGVXSOD-BOPFTXTBSA-N 237.306 3.016 30 50 BGEA C[C@]12C=CC3=CC(=O)CC[C@@H]3[C@H]1CC=CC2 101022155 FXOUFKCTHRODGA-ZNMIVQPWSA-N 214.308 3.434 30 50 BGEA O=[N+]([O-])c1ccc(O)c(/N=C/c2ccccc2)c1 17424954 NNTURZUKNVOWBH-NTEUORMPSA-N 242.234 3.051 30 50 BGEA N#CCc1cc(Cl)cc(Br)c1 71244898 MNLUEMZAOJCLTR-UHFFFAOYSA-N 230.492 3.169 30 50 BGEA in-vitro Cc1ccc([C@@H](C#N)c2ccc(Cl)nn2)cc1 169881 BSXPVUKZVCIWHG-LLVKDONJSA-N 243.697 3.094 30 50 BGEA Cc1ccc(-c2ncccc2C#N)c2cccnc12 65462055 BMMLQGHCIBARMX-UHFFFAOYSA-N 245.285 3.477 30 50 BGEA Cc1ccc(COc2ccccc2/C=N/O)cc1 16292480 GFSMCJICWAILQW-MHWRWJLKSA-N 241.290 3.382 30 50 BGEA O/N=C/c1ccccc1OCc1ccccc1 100378684 BWMUTEQULQIHFG-XNTDXEJSSA-N 227.263 3.074 30 50 BGEA C=C(C)C(=O)O[C@H]1C[C@H](C)CC(C)(C)C1 56998 DABQKEQFLJIRHU-QWRGUYRKSA-N 210.317 3.321 30 50 BGEA O=C1C=C2CCCC[C@@H]2[C@H]2CCCC[C@H]12 19910840 JRMDUKMUBDZKCX-XQQFMLRXSA-N 204.313 3.492 30 50 BGEA O=C1CCC2=C1[C@@H]1CC[C@H]3CC=C[C@]31C2 71786393 UCODQFBICLWGCT-SUNKGSAMSA-N 200.281 3.022 30 50 BGEA C[C@@H]1CCCC=C1B1OC(C)(C)C(C)(C)O1 202530598 APVRBTBASYOFBD-SNVBAGLBSA-N 222.137 3.364 30 50 BGEA in-vitro SCCOc1cccc2ccccc12 3876684 CBVYDYBPQGVGBM-UHFFFAOYSA-N 204.294 3.148 30 50 BGEA C=CCCC[C@H](C(=O)OC)[Si](C)(C)C 169831362 DJVZCEBGEVQEJI-SNVBAGLBSA-N 214.381 3.224 30 50 BGEA C=C(C)CN(CC)Cc1cccc(OC)c1OC 4988914 GUFRHHAIBLKJFA-UHFFFAOYSA-N 249.354 3.102 30 50 BGEA CC1(C)C[C@@](CC#N)(c2ccccc2)CCO1 244171 MTJBXSFLKBXROG-HNNXBMFYSA-N 229.323 3.427 30 50 BGEA CCCCCCCCc1nnc(N)s1 2293209 YMIQAJNFLWQEOW-UHFFFAOYSA-N 213.350 3.023 30 50 BGEA C=CCOc1cccc(NC(=O)C2CCCC2)c1 55714378 CBVSZIBAISTNSC-UHFFFAOYSA-N 245.322 3.380 30 50 BGEA CCN1/C(=C\C(C)=O)Sc2ccc(OC)cc21 100411858 BGVLELSCIHASRV-NTUHNPAUSA-N 249.335 3.058 30 50 BGEA in-vitro Cc1cccc(NC2=CC(=O)CCC2)c1 4235207 OMUXAPOUGSGFNP-UHFFFAOYSA-N 201.269 3.044 30 50 BGEA biogenic CC1(C)CCCC[C@H]1NCCCSCC#N 119824096 ZKMDFVQVVOUDKI-GFCCVEGCSA-N 240.416 3.192 30 50 BGEA CC1(C)[C@@H]2CC(=NNc3ccc(F)nc3)C[C@H]21 2325788211 SSMJDTPFNNMLPW-GHMZBOCLSA-N 233.290 3.055 30 50 BGEA C=CCN(CC=C)Cc1c[nH]c2ccccc12 110337 QCAGDBAHYRSLLN-UHFFFAOYSA-N 226.323 3.342 30 50 BGEA biogenic N#Cc1ccc(NC(=O)NC2CCCCC2)cc1 613189 ATMRLMHIYCXOMR-UHFFFAOYSA-N 243.310 3.012 30 50 BGEA CC1(C)OB(C2CC3(CC(F)C3)C2)OC1(C)C 1857787236 SOQXOXLFTIWSHT-UHFFFAOYSA-N 240.127 3.361 30 50 BGEA Cc1nc2ccccc2n1/N=C/c1ccccc1 348761 ATAPAKSFUICHFL-LFIBNONCSA-N 235.290 3.227 30 50 BGEA CC1(C)CC(=O)C(=Cc2ccccc2)C(=O)C1 3158926 OWPZEMRCLRZIKX-UHFFFAOYSA-N 228.291 3.028 30 50 BGEA Cc1ccc(C)n1-c1sccc1C#N 5618342 UFKFWIMIVPBZQT-UHFFFAOYSA-N 202.282 3.027 30 50 BGEA O=C1C=C(Nc2ccccc2)C(=O)c2ccccc21 100349639 OPECBHGHSFBITB-UHFFFAOYSA-N 249.269 3.062 30 50 BGEA C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 184855374 JCTPTGSAYSXIIA-LLVKDONJSA-N 245.322 3.430 30 50 BGEA COC1=CC(=O)[C@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C1 257357314 NIVKAUJMNSOCCL-ZAZJYDDPSA-N 232.323 3.098 30 50 BGEA N#Cc1ccc(NC(=O)CC2CCCCC2)cc1 316336 GZOZOMNVFJXHRY-UHFFFAOYSA-N 242.322 3.467 30 50 BGEA COc1ccc(-c2ccc(C#N)c(F)c2)cc1 3883314 CBUDFMDIMMTHQP-UHFFFAOYSA-N 227.238 3.373 30 50 BGEA in-vitro C=CCCCSC1=N[C@@H](C)CS1 155439508 DDLSFUZNOXXPMN-QMMMGPOBSA-N 201.360 3.177 30 50 BGEA COC1=CC(=O)[C@@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C1 104298762 NIVKAUJMNSOCCL-NWJSVONSSA-N 232.323 3.098 30 50 BGEA CCCOc1cc(Br)ccc1C#N 6636246 WMAUPFQZVPCYPN-UHFFFAOYSA-N 240.100 3.110 30 50 BGEA N#CCc1cc(F)c(Cl)c(Cl)c1 263624667 SMHQBYQPLOFBSS-UHFFFAOYSA-N 204.031 3.199 30 50 BGEA Cc1cccc([C@@H](C#N)c2ccc(Cl)nn2)c1 169884 CTRXOKALOFTXKD-LLVKDONJSA-N 243.697 3.094 30 50 BGEA Cc1cc(-c2ccco2)c(C#N)c(=S)[nH]1 1504539 HIOZMIZSQLIBNO-UHFFFAOYSA-N 216.265 3.184 30 50 BGEA C[C@@H]1CCC[C@H](NCC(C)(C)CCC#N)C1 183867450 VWLASWOEKNSTHZ-OLZOCXBDSA-N 222.376 3.485 30 50 BGEA [N-]=[N+]=Nc1ccc(CCCC(=O)O)cc1 15722191 IXJMMVGNIFCPFH-UHFFFAOYSA-N 205.217 3.036 30 50 BGEA in-vitro CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)C=CC[C@@H]21 101053030 VRTBMCNSNUKSFF-DYNIEEOBSA-N 202.297 3.124 30 50 BGEA N#CC1(c2ccc(-c3cncnc3)cc2)CCCC1 426372432 XQXIWWOWZRSSNA-UHFFFAOYSA-N 249.317 3.479 30 50 BGEA C=C1C(=O)C2c3ccccc3C1c1ccccc12 4530543 HOCLPYXRDKJERW-UHFFFAOYSA-N 232.282 3.403 30 50 BGEA CCCCCCCCn1sccc1=O 2012904 JPMIIZHYYWMHDT-UHFFFAOYSA-N 213.346 3.270 30 50 BGEA biogenic,in-vitro C=CCSC(=N)N/N=C\C=C\c1ccccc1 1286937752 GPIQGDZKNAKBCQ-ZLRVCTSNSA-N 245.351 3.129 30 50 BGEA C=CCc1ccc(O[C@@H]2CCCCO2)c(OC)c1 392625 IKCCQQBIAULDMO-OAHLLOKOSA-N 248.322 3.329 30 50 BGEA C/C=C/CSc1nc(C)c(C(C)=O)cc1C#N 3104313 OKHZZDGNKVIAJE-SNAWJCMRSA-N 246.335 3.133 30 50 BGEA CCOc1cccc(-c2cccc(C#N)n2)c1 67855742 IGZYMPBYXMFQOV-UHFFFAOYSA-N 224.263 3.019 30 50 BGEA COc1ccc(/N=C2\CCCCCN2C)cc1 102292252 RUHAMAFDZFDODE-CCEZHUSRSA-N 232.327 3.231 30 50 BGEA COc1cccc(NC2=CC(=O)CC(C)(C)C2)c1 6349441 LOVBRVYJKCPVSS-UHFFFAOYSA-N 245.322 3.380 30 50 BGEA C[C@@H]1CC/C(=C/c2ccccc2)C(=O)C1 36378931 VRMVOSCKNKKXDP-COVOJHCQSA-N 200.281 3.459 30 50 BGEA C=C(C)CCN1CCCC[C@H]1c1cc(C)[nH]n1 1620615189 OOEBOKGUAKEYDP-AWEZNQCLSA-N 233.359 3.211 30 50 BGEA O=[N+]([O-])c1cccc(/N=C/c2cccs2)c1 271475 VDUDJYIQWMDARI-XYOKQWHBSA-N 232.264 3.407 30 50 BGEA C=C(C)CC/C=C/COC(=O)CC(C)C 43762999 ZLEPMRJYZAEGPD-FNORWQNLSA-N 210.317 3.488 30 50 BGEA ON=C1CC2(CCCC2)c2ccc(F)cc21 257358994 XUVLQKWPGKYZCN-UHFFFAOYSA-N 219.259 3.220 30 50 BGEA N#Cc1cc(Cl)c(OC(F)F)c(Cl)c1 263623451 HPEWTLCWRCPZGG-UHFFFAOYSA-N 238.020 3.466 30 50 BGEA CCOC(OCC)c1ccc(/C=C/C(C)=O)cc1 1395609 FRXWTYUERKSNTF-VOTSOKGWSA-N 248.322 3.360 30 50 BGEA C[C@H](NCc1ccc(C#N)cc1)c1ccccc1 19878397 FZIFOXATGJEMPB-ZDUSSCGKSA-N 236.318 3.409 30 50 BGEA in-vitro C=CCN(CC=C)CCOc1ccc(C)cc1C 20118461 FODUNAVJIAWVDD-UHFFFAOYSA-N 245.366 3.356 30 50 BGEA O=[N+]([O-])c1cccc(C=Nc2ccc(F)cc2)c1 254826112 VEQIRTJULHMQCM-UHFFFAOYSA-N 244.225 3.485 30 50 BGEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)C1CC=CC1 1506417887 LPOSOSDXPDSHLG-TZMCWYRMSA-N 231.339 3.074 30 50 BGEA CCn1ccc(-c2ccc([C@@H](C)C#N)cc2)n1 2325778274 OJXNYOBTDFDSRV-NSHDSACASA-N 225.295 3.197 30 50 BGEA CC(C)(C)OC(=O)n1ccc2cc(C#N)ccc21 4369373 OYPSWAHXXPMBGM-UHFFFAOYSA-N 242.278 3.296 30 50 BGEA in-vitro C=C(C)COc1cccc(C(=O)NCCCC)c1 10472050 IERLTQWZDDPDCT-UHFFFAOYSA-N 247.338 3.171 30 50 BGEA N#Cc1nc(C2CCCCC2)oc1NC1CC1 1857799703 UXGGDQOCIXAIIR-UHFFFAOYSA-N 231.299 3.168 30 50 BGEA C/C(CSc1c[nH]c2ccccc12)=N/O 346404 LDEVVJHAUMQEER-JYRVWZFOSA-N 220.297 3.110 30 50 BGEA C=CCn1c(C2CCCCC2)n[nH]c1=S 5850007 BCLVTKWIMAUZQF-UHFFFAOYSA-N 223.345 3.174 30 50 BGEA in-vitro C[C@@H](O)C/C=N/c1cccc2ccccc12 17326600 AHTUGIHOEPIEAY-HGLKBHAMSA-N 213.280 3.313 30 50 BGEA C=C1CC(C)(C)Oc2ccc(C(=O)OC)cc21 114355124 XWUDUEYQARWMBV-UHFFFAOYSA-N 232.279 3.048 30 50 BGEA N#CC[C@H]1CCc2[nH]c3ccccc3c2C1 393211 WCVKHIRZXGSZRF-SNVBAGLBSA-N 210.280 3.186 30 50 BGEA N#CCCn1c2c(c3ccccc31)CCCC2=O 4037451 QBYUAANUEOCKOY-UHFFFAOYSA-N 238.290 3.074 30 50 BGEA C=CCC[C@@H](C)Nc1cccc([S@@](C)=O)c1 134944197 HUFVEBYJFFYZOX-BZNIZROVSA-N 237.368 3.191 30 50 BGEA Cc1cc(C)cc(/C(N)=N/c2cccc(C#N)c2)c1 13138798 AMYFSZJRVFIVOL-UHFFFAOYSA-N 249.317 3.212 30 50 BGEA C=CCN(C)C(=O)c1c(C)c(C)cc(C)c1C 65528562 RBVHRYPZRVJCQU-UHFFFAOYSA-N 231.339 3.178 30 50 BGEA C[C@@H]1c2ccccc2CCN1c1ccnc(C#N)c1 425231533 NGIONCKRHMIAMT-GFCCVEGCSA-N 249.317 3.077 30 50 BGEA Cc1nc2cc(C#N)ccc2n1-c1ccccc1 236076 KMNQFPMSZAJXGL-UHFFFAOYSA-N 233.274 3.206 30 50 BGEA CN(C)c1ccc(N/C=C2/CCCCC2=O)cc1 17952446 HZVVPQZTJZONMH-QXMHVHEDSA-N 244.338 3.192 30 50 BGEA ON=C(Cl)c1cc(Cl)cc(Cl)c1 252679436 MISZEFQJRDIUPL-UHFFFAOYSA-N 224.474 3.368 30 50 BGEA N#CCSc1nc(-c2ccccc2)cs1 2890935 URSIHXVFHUUAQS-UHFFFAOYSA-N 232.333 3.426 30 50 BGEA CC1=CC[C@]23C[C@]45CC(C)=CC[C@]4(C[C@@]2(C1)O3)O5 101082819 UOORIBTXUKAXFS-QKPAOTATSA-N 244.334 3.276 30 50 BGEA C=C[C@](F)(Cl)C(F)(F)Br 1707247 VULPFOSLGWWARI-GSVOUGTGSA-N 223.419 3.065 30 50 BGEA biogenic,in-vitro N#CC1(c2ccc(C(F)(F)F)cc2)CC1 66346368 WGLHDYUQTLHLHA-UHFFFAOYSA-N 211.186 3.261 30 50 BGEA CCC(C)(C)C1CCC2(CC1)O[C@@H]2C#N 307408400 MEWXKSHTWLCAQX-QWKFWESOSA-N 207.317 3.274 30 50 BGEA O=C1C=C(c2ccccc2)c2ccccc21 1457680 RGZIEEBYRHQXDY-UHFFFAOYSA-N 206.244 3.315 30 50 BGEA biogenic C[Si](C)(C)C#Cc1ccc(F)cc1F 170157405 SWLZYZRQYWWIJU-UHFFFAOYSA-N 210.299 3.194 30 50 BGEA in-vitro N#CC(=S)Nc1cccc(Cl)c1Cl 398672 MVGFPWAQOVDAJL-UHFFFAOYSA-N 231.107 3.256 30 50 BGEA Cc1oc(-n2c(C)ccc2C)c(C#N)c1C 470938 BVGOKRYJRZNJCO-UHFFFAOYSA-N 214.268 3.176 30 50 BGEA Cc1ccc(C#Cc2ccccc2C=O)cc1 21988426 WBXZJUGIVVHLBD-UHFFFAOYSA-N 220.271 3.207 30 50 BGEA Oc1ccc(/N=C/c2cccs2)cc1 100039056 RVEBRJUUQOSBNV-XYOKQWHBSA-N 203.266 3.204 30 50 BGEA CN1CCC/C1=N\c1ccc(Cl)cc1 102292254 DVYHNJRIOLVUBO-ACCUITESSA-N 208.692 3.096 30 50 BGEA c1ccc(-c2ccc(OC[C@H]3CO3)cc2)cc1 2454854 GXANCFOKAWEPIS-HNNXBMFYSA-N 226.275 3.131 30 50 BGEA in-vitro N#Cc1cccc(-c2nc3ccccc3[nH]2)c1 36962914 UTHJIZFNCKIADR-UHFFFAOYSA-N 219.247 3.102 30 50 BGEA C=CC[C@H]1N[C@H]2C[C@@H](C)[C@H]1c1ccccc12 239432898 WVEZEGUHXBTLMA-RABLLNBGSA-N 213.324 3.399 30 50 BGEA C=CCC(CC=C)(C(=O)O)c1ccccc1 615829 MPYFESWSFJLBHO-UHFFFAOYSA-N 216.280 3.161 30 50 BGEA C[S+](c1ccccc1)c1ccccc1 4255676 BJMDYNHSWAKAMX-UHFFFAOYSA-N 201.314 3.353 30 50 BGEA in-vitro COC(=Nc1ccccc1)c1ccccc1 252489873 KDKHRAVKGIIQHF-UHFFFAOYSA-N 211.264 3.411 30 50 BGEA CCCCCCCCCCCC(=O)NCCO 43587537 QZXSMBBFBXPQHI-UHFFFAOYSA-N 243.391 3.016 30 50 BGEA in-vitro C=CC[C@@H](C)[C@H](C)Nc1cccc(CO)c1 191944411 SBSKGXDUZZQXAH-NEPJUHHUSA-N 219.328 3.192 30 50 BGEA C[C@@H](C(=O)c1ccc(Cl)cc1)[n+]1ccccc1 2894285 IWNRHRFRHLLORJ-NSHDSACASA-N 246.717 3.071 30 50 BGEA C/C(=N\c1ccccc1)n1nnc2ccccc21 106866095 WQIJOJWPMMSZRI-RVDMUPIBSA-N 236.278 3.030 30 50 BGEA CC1(C)OB(CCOc2ccccc2)OC1(C)C 261493864 KZMFRJSOVZZSER-UHFFFAOYSA-N 248.131 3.158 30 50 BGEA C[C@@H](CC#CCN1CCCCC1)OC(C)(C)C 2485632 RDTUHWZIBQWJMA-AWEZNQCLSA-N 237.387 3.069 30 50 BGEA N#Cc1ccc(SC(F)(F)F)cc1 2579163 ONQNILXHGUBPPM-UHFFFAOYSA-N 203.188 3.170 30 50 BGEA in-vitro CC(C)(C)OC(=O)Nc1cccc(CC#N)c1 98181523 WPLIXWVBCVJWSU-UHFFFAOYSA-N 232.283 3.100 30 50 BGEA Cc1ccccc1COc1ccccc1C#N 1056737 LNABCGAHOLLVKV-UHFFFAOYSA-N 223.275 3.446 30 50 BGEA Cc1ccc(COc2ccc(C#N)cc2)cc1 2887579 SGYKUTWOKJLPRU-UHFFFAOYSA-N 223.275 3.446 30 50 BGEA C=CCOc1ccccc1CN1CCC[C@H](C)C1 4989099 JGRCAFAESOEQRC-AWEZNQCLSA-N 245.366 3.483 30 50 BGEA N#Cc1ccc(OCc2ccccn2)cc1Cl 190248793 DVOVOJISGUZFEQ-UHFFFAOYSA-N 244.681 3.186 30 50 BGEA Cc1ccc(NCc2ccccc2O)cc1C#N 41860 KRBCZOMSLONOPR-UHFFFAOYSA-N 238.290 3.184 30 50 BGEA C=C1CC[C@H]2C(=C)CC[C@@H]3C(=C)C(=O)O[C@H]3[C@H]12 253617859 NETSQGRTUNRXEO-REWJHTLYSA-N 230.307 3.017 30 50 BGEA biogenic,in-vitro COc1ccc(/C=N/c2ccc(C#N)cc2)cc1 498074 SZTAFPBCQLNZQR-GZTJUZNOSA-N 236.274 3.317 30 50 BGEA in-vitro O=C1C=C2CCCC[C@@H]2[C@H]2CCCC[C@@H]12 216039545 JRMDUKMUBDZKCX-YNEHKIRRSA-N 204.313 3.492 30 50 BGEA Cc1cc(C)c(C#N)c(-c2ccnc3[nH]ccc23)n1 72447747 FMGOEEIJZOEPGX-UHFFFAOYSA-N 248.289 3.113 30 50 BGEA c1ccc2c(c1)[C@H]1C[C@H]2[C@]23O[C@@]12[C@H]1CC[C@H]3C1 254773615 GGSPSFJXXSUPBZ-DBUDRKNWSA-N 224.303 3.209 30 50 BGEA N#Cc1cccc(SC(F)(F)F)c1 2560228 CIIUZJBOSHGHSN-UHFFFAOYSA-N 203.188 3.170 30 50 BGEA C(=N\N=C\c1cccs1)\c1cccs1 13144642 XVTPWYOBMHEEBR-NTLHZVPKSA-N 220.322 3.263 30 50 BGEA N#Cc1c(Cl)ncc2cc3ccccc3nc12 287057 FDXPJUZQXQATBN-UHFFFAOYSA-N 239.665 3.308 30 50 BGEA N#CCC(=O)c1ccc(Cl)c(Cl)c1 156230 HUEULXLHYYYTTP-UHFFFAOYSA-N 214.051 3.090 30 50 BGEA in-vitro C=CCn1c(C(F)(F)F)nc2ccccc21 552116 PXTXEWCPYYWPCQ-UHFFFAOYSA-N 226.201 3.241 30 50 BGEA in-vitro O=C(/C=C/c1ccco1)c1cccs1 4010656 VSMJEICCLQDYQR-AATRIKPKSA-N 204.250 3.237 30 50 BGEA O=C(C=Cc1ccccc1O)c1ccc(F)cc1 1857777536 XIPWKLRFTVMIGM-UHFFFAOYSA-N 242.249 3.427 30 50 BGEA O=C1CCCc2nc(C#Cc3ccccc3)ccc21 28967975 XOUDFZJCSDKXLG-UHFFFAOYSA-N 247.297 3.000 30 50 BGEA in-vivo C=C1C[C@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 100227953 ZYNYREKPRWPYDC-GHMZBOCLSA-N 223.316 3.105 30 50 BGEA CC[C@@H](/N=C(/O)c1ccc(C#N)c(O)c1)C(C)C 331284368 WXDBWLKJKYETSC-GFCCVEGCSA-N 246.310 3.003 30 50 BGEA CCCCCCCCCCCS(=O)(=O)O 2515939 SJEYEFOHSMBQIX-UHFFFAOYSA-N 236.377 3.405 30 50 BGEA C=CCN(C(=O)c1cc(C)c(C)s1)C(C)C 71759194 XZIRAMIIOMGTOA-UHFFFAOYSA-N 237.368 3.402 30 50 BGEA C=C(C)[C@@H]1CC=C(C)[C@H](OC(=O)CC)C1 56531 DFVXNZOMAOGTBL-VXGBXAGGSA-N 208.301 3.241 30 50 BGEA endogenous,in-man CCNc1oc(/C=C/c2cccs2)nc1C#N 4852270 NJHARXWGJNXJCD-AATRIKPKSA-N 245.307 3.210 30 50 BGEA C=CCCC[C@](C)(C(=O)OC)c1ccccc1 43198658 CKGBOBGWLGNDKH-HNNXBMFYSA-N 232.323 3.474 30 50 BGEA CC(C)(c1ccc(C#N)cc1)C(F)(F)F 114001658 HWQIWGYRCIILHQ-UHFFFAOYSA-N 213.202 3.398 30 50 BGEA O=C[C@]12[C@@H]3c4ccccc4[C@@H]1c1ccccc1[C@@H]32 257355558 BGPKEBKJLXTIIX-LNTUMIRASA-N 232.282 3.212 30 50 BGEA CC[C@@H](C)/N=C(/S)Nc1ccccc1OC 8684820 OVUDTCZDVUKMJP-SECBINFHSA-N 238.356 3.191 30 50 BGEA C=C1COC(=O)[C@]12C[C@@H]1CCC[C@@H](C)[C@@]1(C)C2 5492602 OVXAYHNZXBOVPV-BQPHKTIFSA-N 234.339 3.322 30 50 BGEA biogenic N#Cc1ccc2[nH]c([C@H]3C[C@H]4C=C[C@@H]3C4)nc2c1 55270783 FZGSLBKCDAEQNE-WCQGTBRESA-N 235.290 3.114 30 50 BGEA N#Cc1cc(-c2ccccc2)cnc1Cl 169455 DBOYDCQWVLJOJG-UHFFFAOYSA-N 214.655 3.274 30 50 BGEA in-vitro COc1cccc(-c2cccc(C#N)c2)c1 6794134 GQVFIMUYNIHKKV-UHFFFAOYSA-N 209.248 3.234 30 50 BGEA CC1(C)OB(/C=C2/CCCSC2)OC1(C)C 306780004 PMWDFTBNSYKACU-NTMALXAHSA-N 240.177 3.071 30 50 BGEA CC1(C)C[C@](CC#N)(c2ccccc2)CCO1 244167 MTJBXSFLKBXROG-OAHLLOKOSA-N 229.323 3.427 30 50 BGEA CC(Cl)=NOC(=O)N[C@H](C)c1ccccc1 245329097 XOIGLRDHUROAOV-MRVPVSSYSA-N 240.690 3.046 30 50 BGEA C=CCCc1ccccc1NC(=O)C(C)C 241515478 OFRPXAJQWQBQFT-UHFFFAOYSA-N 217.312 3.400 30 50 BGEA O=C(C=Cc1ccccc1O)c1ccccc1 1857777485 UDOOPSJCRMKSGL-UHFFFAOYSA-N 224.259 3.288 30 50 BGEA C[C@@H]1C[C@@](C#N)(Cc2ccccc2)[C@@H](C)CN1C 16622284 ZLORDNQSUUOOKL-LZWOXQAQSA-N 242.366 3.099 30 50 BGEA C=C(C)CC1(CC(=C)C)C(=O)CCCC1=O 230508657 KYMHCGQHJCTPKZ-UHFFFAOYSA-N 220.312 3.227 30 50 BGEA C=C1C[C@H](C)O[C@@H](c2ccccc2O)C1 184042 OXEQMFZIMUHRTD-GXFFZTMASA-N 204.269 3.188 30 50 BGEA biogenic N#Cc1ccc(-c2cccc(C#N)c2)cc1 1258075 BEABQLYAUXYIIL-UHFFFAOYSA-N 204.232 3.097 30 50 BGEA in-vitro COc1ccc(OC)c(/N=C/c2ccccc2)c1 2171604 JSVNKYYQLAISOI-LFIBNONCSA-N 241.290 3.454 30 50 BGEA CCCCCCC[C@H](C(C)=O)C(=O)OCC 1606112 QPFZUKLNMHJNCE-GFCCVEGCSA-N 228.332 3.115 30 50 BGEA in-vitro O/N=C/c1ccccc1OCc1cccc(F)c1 6926834 JFUPGXYZUNXGHZ-CXUHLZMHSA-N 245.253 3.213 30 50 BGEA COc1cc(F)ccc1-c1nc(C)ccc1C#N 65525835 POYSMRBXBVWWDT-UHFFFAOYSA-N 242.253 3.076 30 50 BGEA N/N=C(/c1ccccc1)c1ccc(Cl)cc1 1700419 UAPAHLNYPGDDBX-SSZFMOIBSA-N 230.698 3.051 30 50 BGEA C/C(=N/O)c1ccc2c3c(cccc13)CC2 23114642 LGCGMTHJJSHXOI-DHDCSXOGSA-N 211.264 3.137 30 50 BGEA CCC12CC(B3OC(C)(C)C(C)(C)O3)(C1)C2 1772798054 BVQIXVTUURFGHS-UHFFFAOYSA-N 222.137 3.413 30 50 BGEA C=CCCC[C@](C)(C=O)c1ccccc1 43198651 CCRQHDQHBHGSTE-CQSZACIVSA-N 202.297 3.500 30 50 BGEA C=C1[C@H]2CC[C@@H](C2)[C@H]1OC(=O)c1ccccc1 253590104 CHSDHLQESNINLW-IHRRRGAJSA-N 228.291 3.198 30 50 BGEA C#CCOC(=O)Nc1cc(Cl)ccc1Cl 1689076 WSUIVVXUHMPXRQ-UHFFFAOYSA-N 244.077 3.175 30 50 BGEA C=CCNC(=O)Nc1ccc(Cl)c(Cl)c1 2171025 MGGHRIOQKXURQO-UHFFFAOYSA-N 245.109 3.301 30 50 BGEA C=C1C(C)(C)[C@H]2CC[C@]1(c1nc(C3CC3)n[nH]1)C2 65396902 RGPFPLUWKRHKFY-NHYWBVRUSA-N 243.354 3.316 30 50 BGEA C=C(C)COc1ccc(NC(=O)C2CCC2)cc1 78544718 XVBQQSDIMAWPPX-UHFFFAOYSA-N 245.322 3.380 30 50 BGEA CCCCCCCNC(=O)c1ccc(OC)cc1 2058277 KIUGFCCROYJTLF-UHFFFAOYSA-N 249.354 3.395 30 50 BGEA C#Cc1cc(C#C)c(OCCC)cc1OCCC 2896176 SNLIUIFOXYRBHV-UHFFFAOYSA-N 242.318 3.227 30 50 BGEA O/N=C/c1ccc2c(c1)-c1ccccc1C2 100164535 UAWVRUIQVKFGPA-OQLLNIDSSA-N 209.248 3.066 30 50 BGEA CC1(C)C(C)(C)C1(C#Cc1ccccc1)C(=O)O 4702147 JHMRJNRENQKBCY-UHFFFAOYSA-N 242.318 3.175 30 50 BGEA C=CCOc1cccc(C(=O)N(CC)C(C)C)c1 952961338 DHOFOUQEFUYTFK-UHFFFAOYSA-N 247.338 3.122 30 50 BGEA CC(CCC#N)(CCC#N)C(=O)c1ccco1 2163848 HCAQRMDJEKFXGO-UHFFFAOYSA-N 230.267 3.076 30 50 BGEA Cc1cc(C(=O)O)ccc1-c1ccc(C#N)cc1 65349653 VTBUPMFVBWRALW-UHFFFAOYSA-N 237.258 3.232 30 50 BGEA in-vitro O=C1C2=C(c3ccccc31)[C@H]1C=C[C@H]2CC1 101037530 XHLVSOOUIPHCJY-UWVGGRQHSA-N 208.260 3.233 30 50 BGEA C=CC[C@@H](C)[C@@H](C)Nc1cccc(CO)c1 191944400 SBSKGXDUZZQXAH-VXGBXAGGSA-N 219.328 3.192 30 50 BGEA CC1=CC[C@@H]2[C@H](CC[C@@H]3C[C@@H](O)CC[C@]32C)C1=O 229860016 BYZYQYOUMAVMHK-WZYWGQKZSA-N 248.366 3.099 30 50 BGEA C[C@@H]1c2ccccc2CCN1c1cccc(C#N)n1 270014154 BOZGQLNJLIKQPZ-GFCCVEGCSA-N 249.317 3.077 30 50 BGEA Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3C#N 178920 CCHYQSQTTQJHNS-SNVBAGLBSA-N 210.280 3.420 30 50 BGEA C=CCC[C@H](C)NCc1nc(C)c(C)s1 134926757 XYXDAUGNYCEGQM-VIFPVBQESA-N 224.373 3.204 30 50 BGEA Cc1cc(/C=N/O)c(C)n1-c1ccc(F)cc1 260792 NIMXFPZJRRXARM-OVCLIPMQSA-N 232.258 3.041 30 50 BGEA CC1(C)OB(/C=C/c2ccccc2F)OC1(C)C 169983712 LTSFNWIORFHERH-MDZDMXLPSA-N 248.106 3.470 30 50 BGEA N#Cc1ccc(-c2cccc3cccnc23)cn1 67935177 BJESELJHHODLTM-UHFFFAOYSA-N 231.258 3.168 30 50 BGEA O=[N+]([O-])c1ccc(N=Cc2ccc(F)cc2)cc1 254566948 PSZBLFDDXLQCSR-UHFFFAOYSA-N 244.225 3.485 30 50 BGEA CC1=CC[C@@H]2[C@H](CC[C@@H]3C[C@H](O)CC[C@@]32C)C1=O 257345581 BYZYQYOUMAVMHK-SSZWKKLZSA-N 248.366 3.099 30 50 BGEA C=C(C)[C@@H]1CC[C@H](C)O[C@H]1CN1CCCCC1 4728807 HBGZKWRENUTODV-KKUMJFAQSA-N 237.387 3.232 30 50 BGEA CCCc1[nH]nc2c1/C(=N\OCC)CC(C)(C)C2 13865275 QFHQNBBVDSBWQI-ATVHPVEESA-N 249.358 3.075 30 50 BGEA Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1C 44292841 WJITXJLRDASTEZ-UHFFFAOYSA-N 242.322 3.326 30 50 BGEA O=C(/C=C/Nc1ccc(O)cc1)c1ccccc1 304780 WSALFVRFYUVRCX-ZHACJKMWSA-N 239.274 3.201 30 50 BGEA C=CCNC(=O)Nc1cccc2ccccc12 4582948 XWJUAWPZXJZKDI-UHFFFAOYSA-N 226.279 3.147 30 50 BGEA Cc1ccccc1/N=C/c1ccccc1O 18136365 CSHNLQILGOBKMX-XNTDXEJSSA-N 211.264 3.451 30 50 BGEA C=C[C@H]1CCCCN1c1ccnc(C(C)C)n1 225605587 IYTBTUXCTJTCEH-LBPRGKRZSA-N 231.343 3.145 30 50 BGEA N#Cc1ccc(-c2ccc3c(c2)NCCO3)cc1 1250586873 XAUSMBZBAWGMDZ-UHFFFAOYSA-N 236.274 3.030 30 50 BGEA N#Cc1ccc(Cl)cc1C(F)(F)F 2528206 GRNQHTXPUDZMGB-UHFFFAOYSA-N 205.566 3.230 30 50 BGEA in-vitro N#CCOc1ccc(-c2ccccc2)cc1 1772370 GIKLAMMYWIRVAH-UHFFFAOYSA-N 209.248 3.256 30 50 BGEA COc1cccc(/C=N/c2ccc(C)cc2)c1O 4793359 OYEREWRJWMPHMA-MHWRWJLKSA-N 241.290 3.460 30 50 BGEA in-vivo C=CCCC[C@@](C)(C=O)c1ccccc1 43198652 CCRQHDQHBHGSTE-AWEZNQCLSA-N 202.297 3.500 30 50 BGEA N#Cc1cccnc1-c1ccc(-c2ccn[nH]2)cc1 32576357 YNVVLRVXOMCQKQ-UHFFFAOYSA-N 246.273 3.010 30 50 BGEA C=CCOc1ccc(CN2CCCCC2)cc1 2981239 WPQWPTKQCHKZMP-UHFFFAOYSA-N 231.339 3.237 30 50 BGEA C#CCn1c2ccccc2c2ccccc21 1872380 LIBFASXXGGLDFB-UHFFFAOYSA-N 205.260 3.428 30 50 BGEA in-vitro CC(C)=NOC(=O)Nc1cccc(Cl)c1 4582969 MDWNFGZAYGWRFB-UHFFFAOYSA-N 226.663 3.284 30 50 BGEA C=C1CCN(C(=O)c2c(C)cccc2C)CC1 336433512 FTRBWXQRLZHNEU-UHFFFAOYSA-N 229.323 3.096 30 50 BGEA Cc1nn(C)c(Oc2cccc(Cl)c2)c1C#N 4106147 XLPJUAWUNSADIM-UHFFFAOYSA-N 247.685 3.046 30 50 BGEA C=C1C[C@@H](O)C(C)(C)CC2=C(C)CC[C@H]12 6395496 USUJOTMVQQCVSM-DGCLKSJQSA-N 206.329 3.450 30 50 BGEA N#Cc1ccc(CN2C[C@H]3CCC[C@@H](C3)C2)cc1 302401237 RQPNPHQHHPYHKR-HOTGVXAUSA-N 240.350 3.180 30 50 BGEA CC1(C(Cl)(Cl)Cl)C=CC(=O)C=C1 155262 RCHALGLCCGJUAE-UHFFFAOYSA-N 225.502 3.058 30 50 BGEA biogenic,in-vitro C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 12363773 IAXXETNIOYFMLW-GYSYKLTISA-N 222.328 3.321 30 50 BGEA in-vitro C[Si](C)(C)C#Cc1cccc2ccncc12 214464588 FKAPASNVVPNCRO-UHFFFAOYSA-N 225.367 3.464 30 50 BGEA COc1ccc(-c2ccccc2C#N)c(OC)c1 67654959 VWDYCXMVCFZOJC-UHFFFAOYSA-N 239.274 3.242 30 50 BGEA N#Cc1cc(OC(F)F)cc(Cl)c1Cl 263623079 DLYYDDSOKMJZTC-UHFFFAOYSA-N 238.020 3.466 30 50 BGEA C=CCCC(=O)N(C)Cc1cccc(SC)c1 1506428713 PZYXCLCXSOFBKP-UHFFFAOYSA-N 249.379 3.333 30 50 BGEA N#Cc1ccc(C#N)c(-c2ccccc2)c1 64486 VASLKQDBXHYPRY-UHFFFAOYSA-N 204.232 3.097 30 50 BGEA O/N=C/c1cccc(OCc2ccccc2)c1 100003823 YUQATBOXIFGNQR-XNTDXEJSSA-N 227.263 3.074 30 50 BGEA Cc1cc(Cl)c(CC#N)c(Cl)c1 263624262 OUVRKAHQYNVMGH-UHFFFAOYSA-N 200.068 3.368 30 50 BGEA CC1=CCCC(C)(C)[C@H]1/C=C/C(=O)CCN(C)C 96027426 LMLLWMCHNUETGU-HVHJFMEUSA-N 249.398 3.446 30 50 BGEA N#Cc1c(OC(F)F)cccc1C(F)(F)F 263623617 JAONSGZBLVRCIL-UHFFFAOYSA-N 237.127 3.178 30 50 BGEA CCCCCCCn1ccc2ncnc-2c1 334157365 GORKVHLFTMUCPR-UHFFFAOYSA-N 217.316 3.353 30 50 BGEA N#Cc1cc(Cl)cc(Br)c1F 36532901 RELFACQQRCJQOV-UHFFFAOYSA-N 234.455 3.113 30 50 BGEA in-vitro CCOCCCO/N=C/c1ccc(CC)cc1 170642553 GWVVNHPDMTXBHG-NTCAYCPXSA-N 235.327 3.026 30 50 BGEA N#Cc1cccc(-c2ccccc2C=O)c1 1257863 XBVNESQLFDHZRH-UHFFFAOYSA-N 207.232 3.038 30 50 BGEA CC1(C)OC(C)(C)/C(=C\c2ccc(F)cc2)C1=O 4511933 FVOWCLBWRBFLRJ-XFXZXTDPSA-N 248.297 3.366 30 50 BGEA F[C@@H]1C(F)(F)C(F)(F)C(F)(F)[C@@]1(F)Cl 140144981 ZIMKXLGBITZYGO-NHYDCYSISA-N 248.500 3.149 30 50 BGEA CC[C@@H](C)/C=C/B1OC(C)(C)C(C)(C)O1 213065784 YMHCJRIEOLRVLC-AAXQSMANSA-N 210.126 3.220 30 50 BGEA N#Cc1ccc(C(F)(F)F)c(Cl)c1 2540163 IWZFPSVQIDJRAD-UHFFFAOYSA-N 205.566 3.230 30 50 BGEA in-vitro CCCC/C=C/B1OC(C)(C)C(C)(C)O1 170174258 PAOJMGKYYPHNDO-MDZDMXLPSA-N 210.126 3.364 30 50 BGEA COc1cccc(/N=C/c2ccccc2O)c1 59537 PUORDCAAMKGOOK-XNTDXEJSSA-N 227.263 3.151 30 50 BGEA biogenic O=[N+]([O-])c1ccc(/C=N/c2ccc(F)cc2)cc1 18153433 UEWFWADWOAOYFA-OQLLNIDSSA-N 244.225 3.485 30 50 BGEA N#Cc1c(F)cccc1-c1noc(C2CCC2)n1 725273559 KWYMILZTTBBRMQ-UHFFFAOYSA-N 243.241 3.015 30 50 BGEA FC(F)(F)c1cccc(SC[C@@H]2CO2)c1 71773670 PUZRUJJXVAEMEY-QMMMGPOBSA-N 234.242 3.196 30 50 BGEA O=[N+]([O-])c1cccc(N=Cc2ccc(F)cc2)c1 254344443 OIBODIYAECWOGN-UHFFFAOYSA-N 244.225 3.485 30 50 BGEA CC/C=C/C(=O)[C@@]1(C)CCCC(C)(C)O1 3882090 JWYPBYFAKBZGAM-STMXVASLSA-N 210.317 3.260 30 50 BGEA CCCCCCCCCCOCCO 1849711 CBVDPTYIDMQDEO-UHFFFAOYSA-N 202.338 3.136 30 50 BGEA in-vitro C=CC[C@H](CNC(=O)OCC)c1ccccc1 2170800 IXCCNFCWJCEGSK-CYBMUJFWSA-N 233.311 3.092 30 50 BGEA Cc1cc(C#N)cc(Cl)c1Br 85652784 NEVBDDIQAFVQBW-UHFFFAOYSA-N 230.492 3.283 30 50 BGEA COc1cccc(/N=C/c2ccccc2)c1 66095 ZIZBBPVOSQIWBA-RVDMUPIBSA-N 211.264 3.446 30 50 BGEA N#Cc1c(-c2ccccc2)oc(=O)c2ccccc12 335974 SYDKZDVMKNDGQV-UHFFFAOYSA-N 247.253 3.332 30 50 BGEA O=[N+]([O-])c1cccc(/C=N/Nc2ccccc2)c1 4273433 FHOAYWBRYJHYIT-GXDHUFHOSA-N 241.250 3.041 30 50 BGEA CC(C)C/N=C(\S)Nc1ccc(F)cc1 8683705 KZEXFJANMGCARM-UHFFFAOYSA-N 226.320 3.179 30 50 BGEA Cc1cc(/N=C/c2ccc(Cl)cc2)no1 25756892 CZIIIUGHTWDINI-NTUHNPAUSA-N 220.659 3.387 30 50 BGEA C(=NN=Cc1ccccc1)c1ccccc1 252597930 CWLGEPSKQDNHIO-UHFFFAOYSA-N 208.264 3.140 30 50 BGEA CCCCN(CCC#N)c1ccccc1 2163503 KMGZOJSHGRNXOC-UHFFFAOYSA-N 202.301 3.207 30 50 BGEA CN(C)c1ccc(/N=C/c2ccco2)cc1 100056993 JRYZHBZAMKMHEZ-GXDHUFHOSA-N 214.268 3.096 30 50 BGEA Cc1cccc(C)c1OCCCCS 3876694 PTBXQLWKJQVOLH-UHFFFAOYSA-N 210.342 3.392 30 50 BGEA C=CCc1cc(C)c(OCCNC(C)C)c(C)c1 4870361 WQRJVFOQBUXNJP-UHFFFAOYSA-N 247.382 3.409 30 50 BGEA Cc1ccccc1/N=C1\C[C@@H](C)N(C)C[C@H]1C 136440008 QWTISDOHQBTPQV-QVDVFPETSA-N 230.355 3.428 30 50 BGEA C#CCC(C)(C)C(=O)N(C)[C@H](C)c1ccccc1 193029931 LSUMUKVSXVYSAM-CYBMUJFWSA-N 243.350 3.256 30 50 BGEA CC[C@@H](C)O/N=C(\C)c1ccc(NC(C)=O)cc1 222253841 UXWUQFQKPJVBMD-ILJRITOVSA-N 248.326 3.184 30 50 BGEA O=C1CCC(C2CCCC2)=C1Br 306325342 ODBKUIRWLPHRHC-UHFFFAOYSA-N 229.117 3.189 30 50 BGEA N#CCc1cccc(OCc2ccccc2)c1 92902 CKZFVIPFANUBDW-UHFFFAOYSA-N 223.275 3.332 30 50 BGEA in-vitro C[Si](C)(C)C#Cc1cccc2ncccc12 169746791 FVMKOWJUHVDUQS-UHFFFAOYSA-N 225.367 3.464 30 50 BGEA Cc1nnc(SCc2ccccc2C#N)s1 468546 IBYAJBDRWDJYFL-UHFFFAOYSA-N 247.348 3.011 30 50 BGEA COc1ccc(/N=C/c2ccccc2OC)cc1 571415 UTQHBQZEUVEREK-LFIBNONCSA-N 241.290 3.454 30 50 BGEA CC1(C)CC(=O)/C(=C/c2cccs2)C(C)(C)N1 20470413 ULNFEUXPXDQMKG-FLIBITNWSA-N 249.379 3.251 30 50 BGEA C=CCSc1ncc(C)cc1Br 215963558 SBARZAOSAQDUSH-UHFFFAOYSA-N 244.157 3.431 30 50 BGEA C=C(C)C(=O)N1CCC(Cc2ccccc2)CC1 221939830 GACYKPMBXXUPSP-UHFFFAOYSA-N 243.350 3.044 30 50 BGEA COc1ccccc1[C@@H](CC#N)c1ccco1 316732 PQJUKRZKZIYOOZ-GFCCVEGCSA-N 227.263 3.334 30 50 BGEA CCN(CC)/C(C)=N/C(=S)Nc1ccccc1 3172757 HTBQSWLPWJFGNP-SDNWHVSQSA-N 249.383 3.144 30 50 BGEA CCc1ccc2nc(Cl)c(C#N)cc2c1 416218 ZZBSVGBZSYQFSD-UHFFFAOYSA-N 216.671 3.322 30 50 BGEA in-vitro N#CCC(=O)c1cc(Cl)cc(Cl)c1 2566992 HRKMSEMFAARJCZ-UHFFFAOYSA-N 214.051 3.090 30 50 BGEA in-vitro CC(C)(C)C(=O)/C=C\c1ccc(C#N)cc1 17197573 SYZNQPDJXCLKBG-HJWRWDBZSA-N 213.280 3.187 30 50 BGEA C[C@H]1C[C@@H](C)C(O)=C(/C=N/c2ccccc2)C1=O 102295726 VLPGMAMRLGEOCK-BWQAPMFPSA-N 243.306 3.446 30 50 BGEA CC1(C)[C@H]2CC(=NNc3ccc(F)nc3)C[C@H]21 2325788212 SSMJDTPFNNMLPW-PHIMTYICSA-N 233.290 3.055 30 50 BGEA Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccco1 65640 SNDYTOHBLGUQOU-MDWZMJQESA-N 230.223 3.247 30 50 BGEA Oc1ccccc1/C=N/CCc1ccccc1 2143536 HORAMVMANLMBSW-FOWTUZBSSA-N 225.291 3.054 30 50 BGEA C=C[C@@H]([C@@]1(C=O)CCCCC1=O)[Si](C)(C)C 169831943 MVZWZBRMGVICIO-QWHCGFSZSA-N 238.403 3.209 30 50 BGEA N#Cc1ccc(/C=N/Nc2ccccc2)cc1 4799518 CXCWFSDDYJMHAM-LFIBNONCSA-N 221.263 3.004 30 50 BGEA N#CCc1cccc(Cl)c1Br 216715204 HPUGXAIJAQEURT-UHFFFAOYSA-N 230.492 3.169 30 50 BGEA Cc1ccc([C@H]2CCCN2[C@H](C)CC#N)s1 225250487 GVHQEEZUPYJBRS-ZYHUDNBSSA-N 234.368 3.496 30 50 BGEA C=C(C)[C@@H]1CC=C(C)[C@@H](OC(=O)CC)C1 56530 DFVXNZOMAOGTBL-NEPJUHHUSA-N 208.301 3.241 30 50 BGEA endogenous,in-man N#Cc1ccc(NC(=O)CCC2CCCC2)cc1 618410 JQYPUASDNFYFBM-UHFFFAOYSA-N 242.322 3.467 30 50 BGEA C[C@@H](/N=C/c1cccc(O)c1O)c1ccccc1 17835562 OMHHMEACXZKMLK-HPUUJOOBSA-N 241.290 3.278 30 50 BGEA N#C[C@@H](c1ccccc1)c1cccc(Cl)n1 169622 GETLPXGITMSNKU-NSHDSACASA-N 228.682 3.390 30 50 BGEA in-vitro CCO[P@](=O)(c1ccccc1)C1(C#N)CCC1 444958 CJJXBPJGYZPWMV-QGZVFWFLSA-N 249.250 3.073 30 50 BGEA CCN1CCS/C1=C/C=N/c1ccccc1 3161130 ZZNHMAPPYVSADI-UQNWOCKMSA-N 232.352 3.299 30 50 BGEA C=CCCCC(=O)Oc1ccccc1F 5283036 HBVADNCOHLWGHR-UHFFFAOYSA-N 208.232 3.087 30 50 BGEA O/N=C(\Cc1ccccc1)c1cccs1 100164197 YUFSIOKDHLZVNH-ACCUITESSA-N 217.293 3.169 30 50 BGEA N#Cc1cccc2c1[C@H]1C=C[C@H]2[C@H]2C=C[C@@H]21 101037106 PJEZRFGHVOICIA-UHXUPSOCSA-N 205.260 3.111 30 50 BGEA C=CCNCCOc1ccccc1OCCCC 16489251 HZNASSYZRFGEGF-UHFFFAOYSA-N 249.354 3.020 30 50 BGEA O=C(/C=C/c1ccc(O)cc1)c1ccc(F)cc1 4280536 APSLSSPGSTXOJC-XCVCLJGOSA-N 242.249 3.427 30 50 BGEA in-vitro N#CC1(c2cccc(Br)c2)CC1 37382602 VHNBUFCWKWBTIZ-UHFFFAOYSA-N 222.085 3.004 30 50 BGEA in-vitro CSC1=N/C(=C\c2ccc(C)cc2)C(=O)S1 458236 RZOIKOBXXSZKQT-YFHOEESVSA-N 249.360 3.328 30 50 BGEA C[C@H](NCc1cccc(C#N)c1)c1ccccc1 19878136 LGEUQCYHBAFMCB-ZDUSSCGKSA-N 236.318 3.409 30 50 BGEA in-vitro CC1(C)CCCN(Cc2ccsc2)[C@H]1C#N 225587045 UYLNQRPQCWSAKN-LBPRGKRZSA-N 234.368 3.262 30 50 BGEA C#C[C@@](C)(CC)NC(=O)Nc1c(C)cccc1C 585141813 YVIHRMDAOZJBSE-HNNXBMFYSA-N 244.338 3.227 30 50 BGEA N#Cc1ccccc1NC(=O)CCC1CCCC1 6741272 UNUPEZALFHZYIJ-UHFFFAOYSA-N 242.322 3.467 30 50 BGEA Cc1cccc(/C=C/C(=O)C(F)(F)F)c1 12404865 UEAAAIFZSJPHJC-AATRIKPKSA-N 214.186 3.140 30 50 BGEA in-vitro C=CCSc1ncc(Br)cc1C 215963827 OHXZDTMSMRXNPC-UHFFFAOYSA-N 244.157 3.431 30 50 BGEA N#Cc1cc(N)ccc1Sc1ccccc1 1383076 BIGAQSPPHVBONE-UHFFFAOYSA-N 226.304 3.292 30 50 BGEA C=CCN(CC=C)C(=O)c1csc(CC)c1 16603931 QDZNHZXJMPXZAO-UHFFFAOYSA-N 235.352 3.125 30 50 BGEA CC[C@H](C)/N=C(/S)Nc1ccc(F)cc1 13522166 YVLNWRSSHYJPGI-QMMMGPOBSA-N 226.320 3.322 30 50 BGEA C=CCn1cnc2cccc3cccc1c32 186910 NHMWNTMJLVNEEJ-UHFFFAOYSA-N 208.264 3.376 30 50 BGEA Cc1cc(SCC#N)nc2ccccc12 37868020 HXAGEYVSGDPACT-UHFFFAOYSA-N 214.293 3.159 30 50 BGEA C[C@H]1C[C@H](Nc2ccc(F)cc2C#N)C[C@@H](C)O1 245343829 VWKUAMJGPYYNQO-DDFAGTSDSA-N 248.301 3.065 30 50 BGEA C=CCn1c(-c2ccccc2C)n[nH]c1=S 2578519 BOKMEJQLNQDLIT-UHFFFAOYSA-N 231.324 3.102 30 50 BGEA in-vitro C[C@@H]1CCC/C(=C\c2ccc3c(c2)OCO3)C1=O 4547742 IURLLHLADSUIRP-CEXMDJMXSA-N 244.290 3.188 30 50 BGEA C=CCCC[C@@](C)(CO)c1ccccc1 43198654 FSYNLRUHBLIACN-AWEZNQCLSA-N 204.313 3.293 30 50 BGEA C[C@H]1CCC[C@H](NCC(C)(C)CCC#N)C1 183867467 VWLASWOEKNSTHZ-STQMWFEESA-N 222.376 3.485 30 50 BGEA C(=N/C1CCCCC1)\c1ccc2c(c1)OCO2 100067615 VLRUOGHIEVUWEB-OQLLNIDSSA-N 231.295 3.167 30 50 BGEA N#Cc1ccccc1Oc1ccccc1C=O 169216 WPJDNBMSANPKFI-UHFFFAOYSA-N 223.231 3.163 30 50 BGEA N#Cc1ccccc1OCc1ccc(F)cc1 2882065 PDZZBICTPQZUOV-UHFFFAOYSA-N 227.238 3.276 30 50 BGEA Fc1c(C(F)(F)F)ccnc1C(F)(F)F 67792736 QSCJFFSBJGRYMI-UHFFFAOYSA-N 233.086 3.258 30 50 BGEA C#Cc1cccc(OCCc2ccccc2)c1 149957889 AARTXYGCFPVWAA-UHFFFAOYSA-N 222.287 3.289 30 50 BGEA FC(F)(F)c1ccc(C#CBr)cc1 196277929 FQCMLRXZSBFXQH-UHFFFAOYSA-N 249.029 3.409 30 50 BGEA CC[C@](C)(C#N)C(=O)NCC1CCCCCC1 332006853 PFBFVWGVXMEKNY-CQSZACIVSA-N 236.359 3.013 30 50 BGEA CC#CC(=O)N(C(C)C)[C@H](C)c1ccsc1 1875377182 VCUBZLQVSUOZOB-LLVKDONJSA-N 235.352 3.069 30 50 BGEA C=CCOc1ccc2ccccc2c1C=O 2559822 LWQBRUUHCKGAEN-UHFFFAOYSA-N 212.248 3.217 30 50 BGEA in-vitro CC(=O)c1ccc(-c2cccc(C#N)c2)cc1 6159104 SRWQSYBXUHJWHV-UHFFFAOYSA-N 221.259 3.428 30 50 BGEA in-vitro COC(=O)c1ccccc1-c1cccc(C#N)c1 1256499 YOBFYHQCHLMCDQ-UHFFFAOYSA-N 237.258 3.012 30 50 BGEA CC(C)c1csc(CN2CCC[C@@H](C#N)C2)n1 97602310 XXAZIHPJJUEJHX-NSHDSACASA-N 249.383 3.002 30 50 BGEA C[C@]12CCC(=O)C=C1CCc1ccccc12 101369350 FSPGJSRKHCJARC-HNNXBMFYSA-N 212.292 3.180 30 50 BGEA COCCCCOc1ccc(C#N)c(Cl)c1 190275328 CEWYDRQENTWTDT-UHFFFAOYSA-N 239.702 3.017 30 50 BGEA CC1(C)OB(/C=C/c2cccs2)OC1(C)C 238789989 QOJNLKBIEIAQIW-BQYQJAHWSA-N 236.145 3.393 30 50 BGEA O=[N+]([O-])c1cccc(N=Cc2ccccc2O)c1 254483652 LEPWMCBGSMIEGT-UHFFFAOYSA-N 242.234 3.051 30 50 BGEA N#Cc1cccc(OC(F)F)c1C(F)(F)F 263624351 PPCYSGAJPIXRIW-UHFFFAOYSA-N 237.127 3.178 30 50 BGEA CN(C)c1ccc(/C=N/Nc2ccccc2)cc1 4421432 ATBRAJVELQHEKU-FOWTUZBSSA-N 239.322 3.199 30 50 BGEA N#CCc1cc(Br)ccc1Cl 83593251 NDXNBYRDDDHFPI-UHFFFAOYSA-N 230.492 3.169 30 50 BGEA in-vitro C#CCN1c2ccccc2Sc2cccnc21 1397306 UKEFQPMJYGFDRU-UHFFFAOYSA-N 238.315 3.318 30 50 BGEA Cc1ccc(C)n1-c1sccc1C(=O)CC#N 1398919 NKOQXARVFSMEIA-UHFFFAOYSA-N 244.319 3.252 30 50 BGEA COc1cccc(-c2ccc(C#N)s2)c1OC 725264203 PEAWSOOCMSVTRO-UHFFFAOYSA-N 245.303 3.304 30 50 BGEA CSC(=CC(=O)c1ccco1)SC 79625 ACPFITCTNYJGQD-UHFFFAOYSA-N 214.311 3.030 30 50 BGEA C(=N/Nc1ccccc1)\c1cccs1 4363652 ROJRSTYMUAGWKC-FMIVXFBMSA-N 202.282 3.194 30 50 BGEA N#Cc1ccc(/N=C/c2ccccc2O)cc1 100037382 MCPDIZHVMWCVAM-MHWRWJLKSA-N 222.247 3.014 30 50 BGEA N#Cc1ccccc1NCc1ccccc1 254391 JNNJQGFCEMZAQR-UHFFFAOYSA-N 208.264 3.170 30 50 BGEA biogenic C=C1[C@@H](O)C[C@@]23C[C@H]1C(C)(C)[C@@H]2CC[C@H]3C 100115057 DJYWGTBEZVORGE-GOGITYCRSA-N 220.356 3.386 30 50 BGEA C=C(C)c1cccc(I)c1 147088122 JUROTVSCHGGPNL-UHFFFAOYSA-N 244.075 3.324 30 50 BGEA CCCCCCC[N+](C)(C)CCC[N+](C)(C)C 112977758 HRZQNDWDAPBHSB-UHFFFAOYSA-N 244.467 3.130 30 50 BGEA C=C1C[C@@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C 100227959 ZYNYREKPRWPYDC-QWRGUYRKSA-N 223.316 3.105 30 50 BGEA CC#CC(=O)N[C@H](c1ccccc1)C1CCCC1 278918759 RQRAVZBKXWRTSJ-MRXNPFEDSA-N 241.334 3.057 30 50 BGEA C(=NN1CCCCCC1)c1ccc2c(c1)CCC2 4582455 SJCSSQNMVNIERH-UHFFFAOYSA-N 242.366 3.385 30 50 BGEA COc1cc(-c2ccccc2C#N)ccc1F 74937818 WQFXAEHIDMMENG-UHFFFAOYSA-N 227.238 3.373 30 50 BGEA in-vitro CC1(C)OB(C#CCC2CCCC2)OC1(C)C 169952315 BJWBSOBABPKVDT-UHFFFAOYSA-N 234.148 3.202 30 50 BGEA in-vitro C[C@H]1[C@H](C)CCC[C@H]1NCCCSCC#N 248574305 SKYVDQHQRYXQAM-FRRDWIJNSA-N 240.416 3.048 30 50 BGEA N#Cc1ccc(NC(=O)c2ccco2)cc1Cl 442265 BQWGXKVTUBFOAC-UHFFFAOYSA-N 246.653 3.057 30 50 BGEA C#CCOc1c(C=O)cc(C)cc1C(C)(C)C 2877815 LZTMNTOEFKVDDR-UHFFFAOYSA-N 230.307 3.117 30 50 BGEA ClC1(Cl)[C@]23CC=CC[C@]12C[C@H]1O[C@@H]1C3 100733811 ZNMPIKYJPNQSHC-KYXWUPHJSA-N 231.122 3.058 30 50 BGEA N#C[C@@H]1CCc2c(Br)cccc21 228896442 TZRWKHCSVRBEBJ-ZETCQYMHSA-N 222.085 3.002 30 50 BGEA C[C@@H]1CCCCN1[C@H](C#N)c1ccccc1 1078386737 QHSUURFZKOEDDJ-TZMCWYRMSA-N 214.312 3.126 30 50 BGEA C[C@@H](c1ccccc1)N1CCC(=O)C2=C1CCC2 208229 MWIRMWIAURTTNX-LBPRGKRZSA-N 241.334 3.460 30 50 BGEA COc1ccc(-c2ccc(F)c(C#N)c2)cc1 8729706 QLFLKGAHOYLYBV-UHFFFAOYSA-N 227.238 3.373 30 50 BGEA Cc1cc([N+](=O)[O-])ccc1-c1ccc(C#N)o1 6700722 TTXGWHMZDMKEPC-UHFFFAOYSA-N 228.207 3.035 30 50 BGEA C=C(Br)CN(C)C1CCCCC1 52440584 DBISAVNHRYOWMP-UHFFFAOYSA-N 232.165 3.160 30 50 BGEA in-vitro CCn1ncc(/C=C/C(=O)c2cccs2)c1C 149882947 RUYZPMPDFKUGCH-VOTSOKGWSA-N 246.335 3.169 30 50 BGEA Fc1cc(Cl)ccc1C#CBr 888086827 UHMAEITVYQXLOJ-UHFFFAOYSA-N 233.467 3.183 30 50 BGEA N#Cc1ccc(OC(F)(F)F)c(Cl)c1 2382247 ITKCOGUNHYXLND-UHFFFAOYSA-N 221.565 3.110 30 50 BGEA in-vitro CC[C@H](C)/C=C/B1OC(C)(C)C(C)(C)O1 213065726 YMHCJRIEOLRVLC-DDXVTDLHSA-N 210.126 3.220 30 50 BGEA CN(CCCC#N)Cc1ccccc1Cl 42224084 VLFIPIZGBLFEKP-UHFFFAOYSA-N 222.719 3.076 30 50 BGEA C=C[C@]1(C(F)(F)F)O[C@H]1c1ccccc1 34278993 WCHCVYVBILPZQC-UWVGGRQHSA-N 214.186 3.245 30 50 BGEA in-vitro C=C/C(O)=N/C[C@@H]1C[C@]1(C)c1cccs1 328599005 PSDIPHLPFSCPHN-CABZTGNLSA-N 221.325 3.168 30 50 BGEA CC#CC(=O)N[C@@H](c1cc(C)sc1C)C(C)C 1875363080 GZZLNDGKLORVFY-CQSZACIVSA-N 249.379 3.202 30 50 BGEA C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1CCC(=C)[C@H]21 898477 NETSQGRTUNRXEO-XUXIUFHCSA-N 230.307 3.017 30 50 BGEA biogenic,in-vitro C=CCNC(=O)c1ccc(-c2ccccc2F)o1 4384915 FYPIFKDPNKFNPQ-UHFFFAOYSA-N 245.253 3.002 30 50 BGEA C=CCC[C@@H](C)Nc1cccc([S@](C)=O)c1 134944157 HUFVEBYJFFYZOX-BDJLRTHQSA-N 237.368 3.191 30 50 BGEA Cc1ccc(-c2csc(N)c2C#N)c(C)c1 5681893 DFGLGYIFILCDSN-UHFFFAOYSA-N 228.320 3.486 30 50 BGEA in-vitro ON=C1C[C@@H](c2ccccc2)c2ccsc21 252452755 ABBGZYDQYWORFI-NSHDSACASA-N 229.304 3.462 30 50 BGEA Cc1ccc2c(c1)c1c(n2C)/C(=N/O)CCC1 188465 USFUSUYDNSPBCQ-NTCAYCPXSA-N 228.295 3.001 30 50 BGEA CSc1nc(-c2ccccc2)ccc1C#N 293496 QCEMFLGUVGTNNS-UHFFFAOYSA-N 226.304 3.342 30 50 BGEA C=C(C)C[C@@H](C)C(=O)NCC=C(Cl)Cl 585127425 ZZLHHGGOBRPGLV-MRVPVSSYSA-N 236.142 3.024 30 50 BGEA C=C(C)COc1cccc(C(=O)N[C@@H](C)CC)c1 6746729 ISEIXFKAGCLEOA-LBPRGKRZSA-N 247.338 3.170 30 50 BGEA CC(C)(C)C(=O)/C=C/Nc1ccc(F)cc1 16322662 LGZIHYQANMUSCW-CMDGGOBGSA-N 221.275 3.367 30 50 BGEA C=CCn1c(C(C)C)nc2ccccc21 351175 PAHIHSOPHLVJJC-UHFFFAOYSA-N 200.285 3.346 30 50 BGEA C[C@@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 169978467 SVHPQFUXPUDKLE-SNVBAGLBSA-N 222.137 3.364 30 50 BGEA in-vitro CC(C)(C)c1ccc([C@@]2(C)O[C@H]2C#N)cc1 309420803 BYRYLUJBFLUAET-GXTWGEPZSA-N 215.296 3.122 30 50 BGEA COc1ccc(-c2ccc(C#N)c(Cl)n2)cc1 3128457 PELDIRQBLYTDBQ-UHFFFAOYSA-N 244.681 3.282 30 50 BGEA C=CCn1c(-c2ccco2)nc2ccccc21 4813171 YIZNFVRSVHLZIF-UHFFFAOYSA-N 224.263 3.482 30 50 BGEA Cc1ccc2cc(C#N)c(Cl)nc2c1 11985164 DGGQDYSNXXNQQJ-UHFFFAOYSA-N 202.644 3.068 30 50 BGEA in-vitro C=C1C2=C(C)C(=O)O[C@H]2C[C@@]2(C)CCCC[C@H]12 38764241 WVOSZPPZKISKDJ-TYNCELHUSA-N 232.323 3.385 30 50 BGEA O=C(Nc1ccccc1)O/N=C/c1ccccc1 289215 IUWNWHQERLURIY-RVDMUPIBSA-N 240.262 3.269 30 50 BGEA CCC/C=C/C/C=C/C=C/C=N/NN=O 5273964 NKTGCVUIESDXPU-YLEPRARLSA-N 207.277 3.102 30 50 BGEA in-vitro O/N=C(\Cl)c1ccccc1C(F)(F)F 12336679 QKICFEIYQLMRAK-QPEQYQDCSA-N 223.581 3.080 30 50 BGEA CC1=CC(=O)C(=C(C)C)C[C@H]2[C@H]1CC[C@]2(C)O 100734137 RHBOHEXDGUVIIY-WHOFXGATSA-N 234.339 3.019 30 50 BGEA COc1cccc(/C=N/c2ccc(F)cc2)c1O 2167780 GEKAPFNMAKPDKB-CXUHLZMHSA-N 245.253 3.291 30 50 BGEA C=CC[N+](CC)(CC)Cc1ccccc1 3106151 MLOZIWKXHDXCDW-UHFFFAOYSA-N 204.337 3.229 30 50 BGEA N#Cc1ccc(Cc2ccccc2)nc1Cl 71781330 ZVCWFQXVZQJUEK-UHFFFAOYSA-N 228.682 3.197 30 50 BGEA CCCOc1cccc(Br)c1C#N 95495578 JNOOAWWMEXRZOE-UHFFFAOYSA-N 240.100 3.110 30 50 BGEA N#Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1F 95495649 NVTRRCMVIIVEIE-UHFFFAOYSA-N 242.209 3.273 30 50 BGEA O=C1/C(=C2/C[C@H]3CC[C@H]2C3)[C@H]2CC[C@H]1C2 102319166 CBNZTEUUQBQIRO-QFAUAZSHSA-N 202.297 3.102 30 50 BGEA CC(C)=CC(=O)C[C@@](C)(O)c1ccc(C)cc1 196811256 HFXMOIIGXSNZTK-OAHLLOKOSA-N 232.323 3.128 30 50 BGEA Cc1ccc(NC2=CC(=O)CC(C)(C)C2)c(O)c1 463042 DFVDPRDWXXGKMI-UHFFFAOYSA-N 245.322 3.386 30 50 BGEA Nc1ccccc1/N=C(/S)Nc1ccccc1 2461424 GZMPOVCWIYERNT-UHFFFAOYSA-N 243.335 3.298 30 50 BGEA N#Cc1cccc(-c2cc(F)cc(C(=O)O)c2)c1 65349640 YXWQABILRUAOGS-UHFFFAOYSA-N 241.221 3.063 30 50 BGEA in-vitro C=CC(C)(C)C(=O)NCc1sccc1Cl 1875274465 ASIOTMCLOBNQPL-UHFFFAOYSA-N 243.759 3.230 30 50 BGEA COc1ccccc1Oc1ccc(C#N)cc1 11959900 WCBJZVLPHCVODR-UHFFFAOYSA-N 225.247 3.359 30 50 BGEA in-vitro Cc1cc(/N=C/c2cc(Cl)ccc2O)no1 13126636 UOBWJNQHWHRQTA-AWNIVKPZSA-N 236.658 3.093 30 50 BGEA N#Cc1cccnc1-c1cccc(Cl)c1F 67851836 WAXZNEXJWCHCMF-UHFFFAOYSA-N 232.645 3.413 30 50 BGEA CC1=CC[C@]23C[C@]45CC(C)=CC[C@@]4(C[C@@]2(C1)O3)O5 216523390 UOORIBTXUKAXFS-CAOSSQGBSA-N 244.334 3.276 30 50 BGEA CCC[C@H](C#N)N(C)C(=O)c1ccc(CC)cc1 328589922 RRGRYAKCRRBQAI-CQSZACIVSA-N 244.338 3.013 30 50 BGEA N#Cc1cccnc1-c1ccc2[nH]ccc2c1 67675542 NONIGGSIYXVEAG-UHFFFAOYSA-N 219.247 3.102 30 50 BGEA C=CCOc1ccccc1OCC(F)(F)F 131644541 SGNNQVMKADCOFV-UHFFFAOYSA-N 232.201 3.193 30 50 BGEA O=C(O)c1ccc(/N=C/c2ccccc2)cc1 56233 MREPJQZHXSDMKL-XNTDXEJSSA-N 225.247 3.135 30 50 BGEA in-vivo N#Cc1c(-c2ccc3ccccc3c2)c[nH]c1N 168345 FUUAUIDSXJHFQP-UHFFFAOYSA-N 233.274 3.289 30 50 BGEA CC(C)(C#N)SC(=S)c1ccccc1 34050043 IDSLBLWCPSAZBL-UHFFFAOYSA-N 221.350 3.397 30 50 BGEA C[Si](C)(C)C#Cc1ccc2ccncc2c1 169746790 RUHASTVPYFVVHL-UHFFFAOYSA-N 225.367 3.464 30 50 BGEA C=C(C)CN(CC)Cc1ccc([N+](=O)[O-])s1 41066 YWYNWAQREPRTAG-UHFFFAOYSA-N 240.328 3.054 30 50 BGEA N#CCc1ccc(Cl)cc1Br 88190262 NSUWXNIKPGCUPX-UHFFFAOYSA-N 230.492 3.169 30 50 BGEA in-vitro CC(C)C/C(=N\O)c1cn(C)c2ccccc12 100009848 OWQGBCNJLLEPCT-FYWRMAATSA-N 230.311 3.403 30 50 BGEA C[C@H]1CCC[C@@H](NCC(C)(C)CCC#N)C1 183867496 VWLASWOEKNSTHZ-QWHCGFSZSA-N 222.376 3.485 30 50 BGEA CCCCCCC(=NO)c1ccccn1 254758481 IMBPTFHRKCPHPX-UHFFFAOYSA-N 206.289 3.230 30 50 BGEA N#Cc1c(OC(F)F)ccc(Cl)c1Cl 263622824 BFQANXGUYRUEJC-UHFFFAOYSA-N 238.020 3.466 30 50 BGEA N#CCn1c2ccccc2c2ccccc21 2023100 QDKUUCIBIDQMGK-UHFFFAOYSA-N 206.248 3.318 30 50 BGEA C=CCNC(=O)c1ccccc1-c1ccccc1 2845108 RHDGWJYNQTXSGA-UHFFFAOYSA-N 237.302 3.269 30 50 BGEA CSC(N=CN(C)C)=Nc1c(C)cccc1C 334157445 HLBZMPHBLBMYJZ-UHFFFAOYSA-N 249.383 3.244 30 50 BGEA C=CCc1ccc(-c2ccc([N+](=O)[O-])cc2)nc1 432816 ZUFVXXBLPOBZFU-UHFFFAOYSA-N 240.262 3.385 30 50 BGEA Nc1cc(C(F)(F)F)cc(F)c1C(F)(F)F 263625032 WEMZMBAHIWCLGG-UHFFFAOYSA-N 247.113 3.446 30 50 BGEA C=CCc1cc(C=O)cc(OC)c1OCCC 4560569 FZBZSICHGJRTAK-UHFFFAOYSA-N 234.295 3.025 30 50 BGEA in-vitro C=C/C(O)=N/C[C@H]1CC[C@@H](c2ccccc2)O1 328598837 OSVUTGFALIANQR-OLZOCXBDSA-N 231.295 3.049 30 50 BGEA O=C(/C=C/Nc1cccc(O)c1)c1ccccc1 6552483 RUMWCVIBKFFIRN-MDZDMXLPSA-N 239.274 3.201 30 50 BGEA N#C[C@@H](Nc1ccccc1)c1cccc(O)c1 6732274 KDZOTVHBVVFYNK-CQSZACIVSA-N 224.263 3.069 30 50 BGEA COc1ccc(/C=N/c2ccccc2)cc1OC 18119732 KCSFGCVDFUCOIJ-LFIBNONCSA-N 241.290 3.454 30 50 BGEA C=CCNCc1ccc(-c2ccccc2F)o1 4841318 OHPRBXDPUSBFRC-UHFFFAOYSA-N 231.270 3.361 30 50 BGEA C=CCc1cc(C(=O)OCC)c(C)c(CC)c1O 33640415 WFSPURUWJRLXJR-UHFFFAOYSA-N 248.322 3.168 30 50 BGEA N#Cc1c(C2CC2)cc(C(F)F)nc1S 2558564 JZMOTFLWLJGWNJ-UHFFFAOYSA-N 226.251 3.057 30 50 BGEA C=C(C)CN(CC)Cc1ccc(OC)c(OC)c1 4989057 MOXAMRVZQDDIMR-UHFFFAOYSA-N 249.354 3.102 30 50 BGEA C[C@@H](CNc1ccc(C#N)cc1)c1nccs1 230610521 IIJSEMSLHGDDCD-JTQLQIEISA-N 243.335 3.230 30 50 BGEA COc1ccccc1/C=C/C(=O)c1ccco1 3892552 SCAUJAJEOISLKB-CMDGGOBGSA-N 228.247 3.184 30 50 BGEA biogenic O=C1C=C(O)C[C@H](c2ccc(Cl)cc2)C1 6530746 DLZDPGBOQGNSNO-VIFPVBQESA-N 222.671 3.228 30 50 BGEA aggregator N#Cc1ccc(NC(=O)Oc2ccccc2)cc1 6115959 BXXVRXJSDVTMJN-UHFFFAOYSA-N 238.246 3.169 30 50 BGEA C=C(C)CN(CC)Cc1cc(OC)cc(OC)c1 4989138 KZPKKOPMDFUCIT-UHFFFAOYSA-N 249.354 3.102 30 50 BGEA N#Cc1ccccc1OCc1ccccc1F 2876666 GNDGJXGADSBQRJ-UHFFFAOYSA-N 227.238 3.276 30 50 BGEA C(=N/Nc1nc2ccccc2s1)\c1ccco1 3909477 ZBHZRCBFWSEHBP-MDWZMJQESA-N 243.291 3.335 30 50 BGEA C=C[C@@]1(C(F)(F)F)O[C@H]1c1ccccc1 34278992 WCHCVYVBILPZQC-VHSXEESVSA-N 214.186 3.245 30 50 BGEA in-vitro C=CCn1ccnc1-c1ccc(C)c(F)c1F 71747410 CENGFKWYQPJBMF-UHFFFAOYSA-N 234.249 3.323 30 50 BGEA CC1=C2[C@H]3C[C@H](C[C@@H]2[C@@H](C)C1=O)C3(C)C 216517037 CZPXCCKQGOLXPO-APHKKCJPSA-N 204.313 3.204 30 50 BGEA Cc1cc(-c2nc3c(cc2C#N)CCCC3)ccn1 426401812 JUKVJZAQDRWYRW-UHFFFAOYSA-N 249.317 3.203 30 50 BGEA N#Cc1cc(F)ccc1-c1noc(C2CCC2)n1 725273455 DQDZWDJJGGEUPD-UHFFFAOYSA-N 243.241 3.015 30 50 BGEA CC(C)c1ccc(-c2c(C#N)cnn2C)cc1 1875282979 AAKAATVVVIMTMK-UHFFFAOYSA-N 225.295 3.082 30 50 BGEA CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)C=CC[C@H]21 101053025 VRTBMCNSNUKSFF-FBKDDSFISA-N 202.297 3.124 30 50 BGEA CC(C)(CC/N=C(/O)[C@@H]1CCCOC1)C1CC1 328593364 FWQBAAYLQSAZBH-LLVKDONJSA-N 239.359 3.196 30 50 BGEA FC(F)(F)Oc1ccc(CS)cc1 167141 VWLQXXSOXQNHJM-UHFFFAOYSA-N 208.204 3.015 30 50 BGEA N#Cc1c(O)c(Cl)c(Cl)c(C#N)c1Cl 2012006 MDQKYGOECVSPIW-UHFFFAOYSA-N 247.468 3.096 30 50 BGEA biogenic,in-vitro CCCCCCCCCCn1cc[n+](C)c1 2585520 LDVVBLGHGCHZBJ-UHFFFAOYSA-N 223.384 3.453 30 50 BGEA in-vitro C=C(C)COc1cccc(N=S(C)(C)=O)c1 585090012 MZZNCZGDHBXYNR-UHFFFAOYSA-N 239.340 3.001 30 50 BGEA O=C(/C=C/c1ccccc1O)c1ccc(F)cc1 16125547 XIPWKLRFTVMIGM-JXMROGBWSA-N 242.249 3.427 30 50 BGEA in-vitro CO[C@@]1(c2ccccc2)OC12CCCCC2 44125705 GYGHIMLKIFGIPK-AWEZNQCLSA-N 218.296 3.219 30 50 BGEA N#Cc1cc(Br)c2ccccc2c1N 169122136 IETDYMLEXACTDZ-UHFFFAOYSA-N 247.095 3.056 30 50 BGEA Cc1cc(C)c(C#N)c(Nc2ccc(F)cc2)n1 93586 IPTZFPMJDLVYMQ-UHFFFAOYSA-N 241.269 3.453 30 50 BGEA N#CCc1ccccc1-c1ccccc1CC#N 1038923 HUQBQMNLLVOXSZ-UHFFFAOYSA-N 232.286 3.486 30 50 BGEA CC(C)(C#N)c1ccc(Br)cc1F 75934352 WPCTXASXKDFYBT-UHFFFAOYSA-N 242.091 3.389 30 50 BGEA N#C[C@H](Cc1ccccc1)S[C@@H]1CCCOC1 611537991 PHZFHMBLMYLGJB-KGLIPLIRSA-N 247.363 3.033 30 50 BGEA C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2C 9668941 OYOSOUHKSKHZCY-UWVGGRQHSA-N 242.322 3.166 30 50 BGEA C=C[C@]1(O)C[C@@]23CC=CC[C@]12CCCC3 257358947 XMGYJXQEJIJHSW-MJBXVCDLSA-N 204.313 3.204 30 50 BGEA CCC[C@@H](C#N)N(C)C(=O)c1ccc(CC)cc1 328589921 RRGRYAKCRRBQAI-AWEZNQCLSA-N 244.338 3.013 30 50 BGEA C=CCSc1nc2cc(C)ccc2[nH]1 2715341 MAVROOKMSMTGKO-UHFFFAOYSA-N 204.298 3.149 30 50 BGEA CN(/N=C/c1ccc(C#N)cc1)c1ccccc1 4826036 MLWFZMFZTBBNHZ-SFQUDFHCSA-N 235.290 3.029 30 50 BGEA CC(=O)[C@@](C#N)(Cc1ccccc1)c1ccccc1 1855181 NJQKSQKWNYLCIL-KRWDZBQOSA-N 249.313 3.280 30 50 BGEA c1ccc2c(c1)c1ccccc1n2C[C@@H]1CO1 2271567 VAJIZAPXBKMPRO-LLVKDONJSA-N 223.275 3.193 30 50 BGEA in-vitro N#Cc1cccc(-c2ccc(O)cc2)c1F 65339980 XEXWPWIUOVCEIJ-UHFFFAOYSA-N 213.211 3.070 30 50 BGEA in-vitro C[C@H](CS)[C@H]1CC[C@@H](C)[C@H](S)C1 249696541 SUNXFMPZAFGPFW-DOLQZWNJSA-N 204.404 3.287 30 50 BGEA Cc1ccc(/C(=N/O)c2cccs2)cc1 4783166 RNIHSJJEPWOUKG-SEYXRHQNSA-N 217.293 3.283 30 50 BGEA C=CCNC/C=C/COc1cccc(C)c1C 16623167 ZCJOASWCBJUWQD-AATRIKPKSA-N 231.339 3.014 30 50 BGEA C[C@@H](C=O)c1ccc(Br)c(Cl)c1 257887015 GELVYUXIFPYSAK-LURJTMIESA-N 247.519 3.405 30 50 BGEA N#CCc1c(Cl)cc(F)cc1Cl 263623569 IONJHZALMHVBIX-UHFFFAOYSA-N 204.031 3.199 30 50 BGEA CCCCCCCCCCCc1nc(N)n[nH]1 1601731 MFKJBYGCXDTNDA-UHFFFAOYSA-N 238.379 3.460 30 50 BGEA C=C(CC(C)C)C(=O)OCc1ccccc1 38339418 KRRNMUYRNUTOTQ-UHFFFAOYSA-N 218.296 3.332 30 50 BGEA C(=N/CC/N=C/c1cccs1)\c1cccs1 18156091 ONDUJQMMZMEMEF-UTLPMFLDSA-N 248.376 3.348 30 50 BGEA CCN1/C(=C\C(C)=O)Sc2ccccc21 100199745 ZAQJHSAPJIMKAM-XYOKQWHBSA-N 219.309 3.049 30 50 BGEA C[C@H]1CCC/C(=C\c2ccccc2)C1=O 17859969 OOXAOPCNIYOINQ-CDDSVFCYSA-N 200.281 3.459 30 50 BGEA Cc1cccc(/N=C2\NC[C@@H](C)S2)c1C 4047802 AUCPOONERZTNGB-SECBINFHSA-N 220.341 3.016 30 50 BGEA N#Cc1cccc(-c2ccc(C=O)cc2)c1 4265539 WIBFCEQQNYPLSE-UHFFFAOYSA-N 207.232 3.038 30 50 BGEA N#Cc1ccc2c(c1)[C@H]1[C@H]3[C@@H]2[C@H]3[C@H]2CC[C@H]21 247661923 UAMXDFMEEJJIGE-JSPKAECFSA-N 207.276 3.025 30 50 BGEA N#CCc1ccc(C(=O)c2ccccc2)s1 167348 SHIYRKUDCJWDQI-UHFFFAOYSA-N 227.288 3.045 30 50 BGEA in-vitro C=CCN(Cc1ccco1)C(=O)C[C@H]1C=CCC1 65497769 JOLVLKITPILFBK-ZDUSSCGKSA-N 245.322 3.151 30 50 BGEA c1ccc2c(/N=C3\NCCS3)cccc2c1 528680 OPHJVMLHMZPRDG-UHFFFAOYSA-N 228.320 3.164 30 50 BGEA C[C@H]1CCC/C(=C\c2ccc3c(c2)OCO3)C1=O 4547743 IURLLHLADSUIRP-QVIVLVACSA-N 244.290 3.188 30 50 BGEA N#CCCNc1ccc(Cl)c(Cl)c1 5427351 FWYHPLBANASGGP-UHFFFAOYSA-N 215.083 3.319 30 50 BGEA C=C([C@H](O)[C@H]1CC=CCC1)[Si](C)(C)C 169828216 SPDHOHKXTFWTGG-RYUDHWBXSA-N 210.393 3.137 30 50 BGEA CCCOc1nsc(SCCC)c1C#N 4593267 GWZNWGATLDQLKD-UHFFFAOYSA-N 242.369 3.306 30 50 BGEA O=C(/C=C/Nc1ccc(F)cc1)c1ccco1 101028483 QQDKMWSFOHOBIR-BQYQJAHWSA-N 231.226 3.227 30 50 BGEA CCCCCCCCCSc1n[nH]c(N)n1 2911724 LVDBFSNMSYAADT-UHFFFAOYSA-N 242.392 3.230 30 50 BGEA CCCN1CCC[C@@H](c2cccc(C#N)c2)C1 3785159 GQRIAOUUYRIMLH-OAHLLOKOSA-N 228.339 3.148 30 50 BGEA in-vivo O/N=C1/CCc2ccc3c4c(ccc1c24)CC3 6473418 KFAHKBZZIOONDM-SSZFMOIBSA-N 223.275 3.063 30 50 BGEA C#C[C@]1(OC(C)=O)CC[C@H](c2ccccc2)CC1 253387590 OPSNEDOUCBPSCH-WKILWMFISA-N 242.318 3.279 30 50 BGEA Fc1cc(C(F)(F)F)c(F)c(F)c1F 2386436 ZWVOHERGWLDGFT-UHFFFAOYSA-N 218.071 3.262 30 50 BGEA C[C@H]1CC2=C(C1=O)[C@@H]1CC[C@H]3CC=C[C@]31C2 71786401 AJQWGBSZOPXWCS-LIBKGXAOSA-N 214.308 3.268 30 50 BGEA N#Cc1ccc(OC(F)F)c(Cl)c1Cl 263625281 YHXVNSXKVFFFKJ-UHFFFAOYSA-N 238.020 3.466 30 50 BGEA COc1ccc(C[C@@H](C)C=O)cc1C(C)(C)C 584880100 RPMAKFMKMMNPEX-LLVKDONJSA-N 234.339 3.370 30 50 BGEA O=C1/C(=C/c2ccco2)C[C@H]2CCCC[C@H]12 4532363 WYPCTYNXEASQHE-OMTDHXKNSA-N 216.280 3.442 30 50 BGEA O=C1CCCC/C1=C/Nc1ccc(F)cc1 18119951 RLPFNXYBJNEBRR-KTKRTIGZSA-N 219.259 3.265 30 50 BGEA C=CCc1cc(C=O)cc(OCC)c1OC(C)C 19091290 MWFZQVQXQARBMM-UHFFFAOYSA-N 248.322 3.414 30 50 BGEA CCOC(C[C@@H](C#N)c1ccccc1)OCC 44125544 HWTARGPLTRBZOJ-ZDUSSCGKSA-N 233.311 3.083 30 50 BGEA C=CCC(=O)NC(C)(C)c1ccc(Cl)cc1 2325804545 YZGQRMYNCUGVOV-UHFFFAOYSA-N 237.730 3.267 30 50 BGEA COc1ccc(/C=C/C(=O)C(C)(C)C)cc1OC 1628758 DUOQAPIZFRFCLJ-VQHVLOKHSA-N 248.322 3.332 30 50 BGEA C=C[C@H](O)c1ccc2c(c1)Cc1ccccc1-2 4759509 NSVHJIZRVBHCQO-INIZCTEOSA-N 222.287 3.477 30 50 BGEA N#Cc1ccc(Oc2ccc(Cl)cc2)nc1 124429 DAHIOIPBXNVSIW-UHFFFAOYSA-N 230.654 3.399 30 50 BGEA in-vitro Cc1ccc(NC(=O)c2ccccc2)c(C#N)c1 390450 HNBOKBOPAYLCKE-UHFFFAOYSA-N 236.274 3.119 30 50 BGEA Cc1nc2cc(C#N)ccc2n1Cc1ccccc1 95496046 DJGSHZNASXSXGL-UHFFFAOYSA-N 247.301 3.265 30 50 BGEA C=CCN(CC=C)C(=O)Nc1ccc(F)cc1 395211 SXLZYBHADFLICE-UHFFFAOYSA-N 234.274 3.032 30 50 BGEA CC(C)(C)OC(=O)Nc1cccc(F)c1C#N 36157046 URZIIFNBWLCXJJ-UHFFFAOYSA-N 236.246 3.044 30 50 BGEA in-vitro C=CC[C@H](C)[C@@H](C)Nc1cccc(CO)c1 191944392 SBSKGXDUZZQXAH-NWDGAFQWSA-N 219.328 3.192 30 50 BGEA O=C1/C(=C/c2ccccc2)COc2ccccc21 84787 TXRPREROCFYGHX-JLHYYAGUSA-N 236.270 3.345 30 50 BGEA CC1=CC[C@]23C[C@]45CC(C)=CC[C@@]4(C[C@]2(C1)O3)O5 216523333 UOORIBTXUKAXFS-YHUYYLMFSA-N 244.334 3.276 30 50 BGEA C=C(C)CSc1nc2c(cc1C#N)CCC2 46225 GJLLNFYGBNBLCR-UHFFFAOYSA-N 230.336 3.110 30 50 BGEA Cc1c(C#N)c(N)n(CCC2=CCCCC2)c1C 6668692 CGGHBHJOBRZJRH-UHFFFAOYSA-N 243.354 3.449 30 50 BGEA C[C@@H](C#N)Oc1c(Cl)cccc1Cl 11944390 IDAFCZRTKFHCGS-LURJTMIESA-N 216.067 3.284 30 50 BGEA C=CCc1cc(C=O)cc(OCC)c1OCCC 19091286 BMESCLKAQSWNNI-UHFFFAOYSA-N 248.322 3.415 30 50 BGEA C[C@@H]1CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]23CO3)C1(C)C 25721576 XPGWKKLDFXNBPJ-QTPLKFIXSA-N 220.356 3.484 30 50 BGEA N#CCc1cc(Cl)cc(C(F)(F)F)c1 2527773 OGYGRYBLLSUSDE-UHFFFAOYSA-N 219.593 3.425 30 50 BGEA in-vitro O=C(/C=C/c1ccco1)c1cccc([N+](=O)[O-])c1 4603730 DUWCFILRTWWPFG-VOTSOKGWSA-N 243.218 3.084 30 50 BGEA in-vitro C(=N/OCc1ccccc1)\[C@@H]1CCCSC1 2325718826 UTKBNENPJKXXCS-FYQHACEVSA-N 235.352 3.332 30 50 BGEA O=C1/C(=C/c2cccnc2)Sc2ccccc21 2056252 BKRNIMZTMJQFSU-JYRVWZFOSA-N 239.299 3.411 30 50 BGEA C=CCCC[C@@](C)(C(=O)OC)c1ccccc1 43198657 CKGBOBGWLGNDKH-OAHLLOKOSA-N 232.323 3.474 30 50 BGEA C=CCN(CCC)C(=O)c1cc2ccccc2o1 67473234 OLQWZMBGNHMYPH-UHFFFAOYSA-N 243.306 3.471 30 50 BGEA CC(=NN=C(C)c1ccco1)c1ccco1 254393998 UVHCOVHHXPIWFF-UHFFFAOYSA-N 216.240 3.106 30 50 BGEA Cc1sc(N)c(C#N)c1-c1ccccc1 34150 PQPYGNLKAWFNAF-UHFFFAOYSA-N 214.293 3.177 30 50 BGEA in-vitro Cc1ccc([C@@H](C#N)c2ccc(N)cc2)cc1 394404 RTNMSYZNUZAKIK-OAHLLOKOSA-N 222.291 3.233 30 50 BGEA Cc1nc(SCC#N)c2c(C)c(C)sc2n1 4196768 QFZYPSDGDRFDCE-UHFFFAOYSA-N 249.364 3.232 30 50 BGEA CN(c1ccccc1)[C@H](C#N)c1ccccc1 5328829 PSWDTPFUMNREGL-OAHLLOKOSA-N 222.291 3.388 30 50 BGEA N#Cc1ccnc(-c2ccc(-c3ccn[nH]3)cc2)c1 67649101 QBZUKYZWTCWKGP-UHFFFAOYSA-N 246.273 3.010 30 50 BGEA N#Cc1ccc(-c2ccccc2)[nH]c1=S 283173 XJUANYPYIQLJEC-UHFFFAOYSA-N 212.277 3.283 30 50 BGEA in-vitro CCC(=O)Nc1sc2c(c1C#N)C[C@H](C)CC2 477097 SKQMUIAQSNHKAE-MRVPVSSYSA-N 248.351 3.093 30 50 BGEA CC1=NC(=S)[C@H](C#N)C(c2ccccc2)=C1 4006079 ZBUVYMDJEBOAQD-GFCCVEGCSA-N 226.304 3.012 30 50 BGEA COc1ccc(C(=O)/C=C/c2ccco2)cc1 4670146 BHFGGNLNMIPQQY-CMDGGOBGSA-N 228.247 3.184 30 50 BGEA biogenic N#CCc1cc(Br)c(Cl)cc1F 217616977 ZWYLSHRFUNDXGM-UHFFFAOYSA-N 248.482 3.308 30 50 BGEA Cc1cccc(N=Cc2ccccc2O)c1 254372465 YVRWJZWKCHZBQU-UHFFFAOYSA-N 211.264 3.451 30 50 BGEA C=CCCCSC1=N[C@H](C)CS1 155439393 DDLSFUZNOXXPMN-MRVPVSSYSA-N 201.360 3.177 30 50 BGEA CC(C)CB1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 169746203 QGWQMLAZUPRXGK-FMSGJZPZSA-N 236.164 3.371 30 50 BGEA O/N=C/c1ccc(OCc2ccccc2F)cc1 4498701 MTRHSWTWMALCFG-CXUHLZMHSA-N 245.253 3.213 30 50 BGEA C[C@@H](/N=C/N(C)C)c1cccc2ccccc12 5062815 YCIDUPCCADORTH-PILJQMSFSA-N 226.323 3.491 30 50 BGEA Cc1c(Cl)c(Cl)nc(Cl)c1C#N 26440854 MEICKJSSGQUWTE-UHFFFAOYSA-N 221.474 3.222 30 50 BGEA N#Cc1ccc2c(c1)[C@H]1C=C[C@H]2[C@H]2C=C[C@H]21 247637428 FFGXWHCQENRNHP-CZXHOFHRSA-N 205.260 3.111 30 50 BGEA Cc1ccc(-c2csc(N)c2C#N)cc1 12404910 HLSQWKBDECORJV-UHFFFAOYSA-N 214.293 3.177 30 50 BGEA in-vitro CC(C)(C=O)Cc1ccccc1Br 212416129 BVUKVDGFFWGTSY-UHFFFAOYSA-N 241.128 3.217 30 50 BGEA [N-]=[N+]=Nc1ccc(C(=O)C(F)(F)F)cc1 2332989784 UJXIKZZEMNIPJJ-UHFFFAOYSA-N 215.134 3.373 30 50 BGEA O=[N+]([O-])c1ccc(N/N=C/c2cccs2)cc1 5514109 LICFAVLGOUPWAT-XYOKQWHBSA-N 247.279 3.102 30 50 BGEA C#Cc1ccc(-c2ccc(C#C)cc2)cc1 66055324 MXJJMQSKDPNPSX-UHFFFAOYSA-N 202.256 3.316 30 50 BGEA in-vitro Cc1cnc2c(C#N)cccc2c1Cl 91692976 IPHMKZHVIIFKNE-UHFFFAOYSA-N 202.644 3.068 30 50 BGEA in-vitro CC1(C)OB(CC[Si](C)(C)C)OC1(C)C 195919952 YKYAZAJUMAWTGO-UHFFFAOYSA-N 228.217 3.417 30 50 BGEA C=CCc1cccc(Cl)c1OCCNCC 6702022 UZRGKFKMHQSWPX-UHFFFAOYSA-N 239.746 3.057 30 50 BGEA N#Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 22201666 DOBQZAZMSQVKJA-UHFFFAOYSA-N 224.219 3.133 30 50 BGEA O=C1C(=O)c2ccccc2/C1=C\c1cccs1 4578457 HCHPIKOEGJEIJD-XYOKQWHBSA-N 240.283 3.054 30 50 BGEA CCc1cc(CC)c(/C=N/O)c(CC)c1 104493901 XSLSCQLWGJXEKJ-NTEUORMPSA-N 205.301 3.182 30 50 BGEA O=C[C@@]12[C@@H]3c4ccccc4[C@@H]1c1ccccc1[C@@H]32 257355557 BGPKEBKJLXTIIX-HMQPTBHHSA-N 232.282 3.212 30 50 BGEA CC1(C)CC(O)=C/C(=N\Nc2ccccn2)C1 4990629 PTBACSSOSBIGIK-XNTDXEJSSA-N 231.299 3.111 30 50 BGEA C=C([C@@H](O)[C@H]1CC=CCC1)[Si](C)(C)C 169828218 SPDHOHKXTFWTGG-NWDGAFQWSA-N 210.393 3.137 30 50 BGEA N#CCc1cccc(C(F)(F)F)c1Cl 2528374 QQKIPJWEPDGSLQ-UHFFFAOYSA-N 219.593 3.425 30 50 BGEA CSC(SC)=C1Cc2ccccc2C1=O 36467947 CTDVSUGJQHQLOL-UHFFFAOYSA-N 236.361 3.363 30 50 BGEA N#Cc1cc(C(F)(F)F)nc2ccccc12 66322692 JTPAVLXWCPOQJJ-UHFFFAOYSA-N 222.169 3.125 30 50 BGEA C[C@@H](CS)[C@H]1CC[C@@H](C)[C@H](S)C1 249696542 SUNXFMPZAFGPFW-XFWSIPNHSA-N 204.404 3.287 30 50 BGEA CC(C)(C)C1=CC(=NO)C=C(C(C)(C)C)C1=O 241865 FXYZTGVHLFVVNN-UHFFFAOYSA-N 235.327 3.344 30 50 BGEA CC(=O)C1([C@@]2(C)CO2)[C@H]2CC[C@H]1c1ccccc12 101049889 CEPDYSVTZXTIFO-SOUVJXGZSA-N 242.318 3.026 30 50 BGEA C[C@@H]1CCC[C@@H](NCCCSCC#N)[C@@H]1C 162959348 SKYVDQHQRYXQAM-JHJVBQTASA-N 240.416 3.048 30 50 BGEA C/C(=N\Nc1ccc(C(=O)O)cc1)C(C)(C)C 252527903 DPXODFNNJOCVPS-NTEUORMPSA-N 234.299 3.219 30 50 BGEA O=C(/C=C/c1cccc(O)c1)c1ccccc1 3921796 FGLRWHNZUBAWJK-MDZDMXLPSA-N 224.259 3.288 30 50 BGEA C=CCNC(=S)Nc1cccc2ccccc12 5420916 XKOOYYGMASECMW-UHFFFAOYSA-N 242.347 3.312 30 50 BGEA C=CCOc1cccc(NC(=O)c2ccco2)c1 6703075 FIWACZYSRUUDKO-UHFFFAOYSA-N 243.262 3.097 30 50 BGEA Cc1ccc(COc2ccc(/C=N/O)cc2)cc1 100560952 YZTLIJZLYKZLKA-MHWRWJLKSA-N 241.290 3.382 30 50 BGEA C[Si](C)(C)C#CC[C@@H](O)C1CCCCC1 169828396 LITPQCLWUBJBNR-CYBMUJFWSA-N 224.420 3.199 30 50 BGEA C=CCNc1oc(-c2ccc(C)cc2)nc1C#N 1792953 OGHBAPRMYFIFJT-UHFFFAOYSA-N 239.278 3.120 30 50 BGEA CCCCCCCCCNC(=O)CC[C@H](C)O 3105732 PQYMRHJTUATPQL-ZDUSSCGKSA-N 243.391 3.014 30 50 BGEA O=C(/C=C/c1ccccc1)c1ccc(O)cc1 4175523 UAHGNXFYLAJDIN-IZZDOVSWSA-N 224.259 3.288 30 50 BGEA biogenic,in-vitro CS/C(N)=N/c1ccc(Cl)c(Cl)c1 4381820 BKHNZXYATKHUAA-UHFFFAOYSA-N 235.139 3.303 30 50 BGEA CC/C(=N\O)[C@H](CC)c1ccc(OC)cc1 71774165 OFBDMMRJPBOJEK-VEOJIXDASA-N 221.300 3.429 30 50 BGEA CCOc1ccc2ccccc2c1/C=N/O 102775160 INEMFHVZJWVMTR-NTEUORMPSA-N 215.252 3.047 30 50 BGEA O=[N+]([O-])c1ccc(/N=C/c2cccs2)cc1 4582918 ZDNQNPWNUJXJNB-XYOKQWHBSA-N 232.264 3.407 30 50 BGEA N#Cc1c(F)cccc1-c1cccc(F)c1C#N 95495745 UWYORGVIWRFKAS-UHFFFAOYSA-N 240.212 3.375 30 50 BGEA CCCCCCCn1nnc2ccccc21 106866428 RVDZIFNXDDHTNX-UHFFFAOYSA-N 217.316 3.402 30 50 BGEA COc1ccc([C@@H](C#N)c2ccccc2)cc1 2048498 NMRODAMTCYVZAZ-HNNXBMFYSA-N 223.275 3.351 30 50 BGEA O=C(/C=C\c1ccc(O)cc1)c1ccccc1 4577626 PWWCDTYUYPOAIU-FLIBITNWSA-N 224.259 3.288 30 50 BGEA endogenous,in-man CC(=O)c1ccc(C#Cc2ccccc2)cc1 1039926 QCYZMMVPXNWSJK-UHFFFAOYSA-N 220.271 3.289 30 50 BGEA C=CCOc1ccc(Br)cc1 1556216 ZXCVTYLZFUQVIE-UHFFFAOYSA-N 213.074 3.014 30 50 BGEA Cc1cc(SCC#N)nc2c(C)cccc12 7785260 BDTTZQVTIMWVQW-UHFFFAOYSA-N 228.320 3.467 30 50 BGEA C=CCNC(=O)CCc1cccc2ccccc12 67338860 NVSJPPANQPNVQC-UHFFFAOYSA-N 239.318 3.075 30 50 BGEA Cc1cc(-c2ccccc2C#N)cn2ccnc12 426501933 VDGBOKIKKRGGIO-UHFFFAOYSA-N 233.274 3.181 30 50 BGEA O=C1C=C(c2ccccc2)COc2ccccc21 2529357 LYRKKDMDGRCXGP-UHFFFAOYSA-N 236.270 3.345 30 50 BGEA CC(C)(C)c1[nH]c2ccc(C#N)cc2c1C=O 3675091 ZQZOXFHLCWXFKL-UHFFFAOYSA-N 226.279 3.150 30 50 BGEA in-vitro COc1cccc2c(C)cc(SCC#N)nc12 11907525 XYNKUMXJWPWFFU-UHFFFAOYSA-N 244.319 3.168 30 50 BGEA N#CCc1ccccc1Cc1ccccc1 39207831 FNABKCDNTDMHMK-UHFFFAOYSA-N 207.276 3.343 30 50 BGEA N#CCn1nc(-c2cccs2)cc1C1CC1 225521353 ZZOFCESMGSQAPC-UHFFFAOYSA-N 229.308 3.013 30 50 BGEA C[C@H](C=O)c1ccc(Br)c(Cl)c1 257887017 GELVYUXIFPYSAK-ZCFIWIBFSA-N 247.519 3.405 30 50 BGEA C#C[C@H]1CCCC[C@H]1OC(=O)Oc1ccccc1 404620 CAZHVEZNSQMSHQ-GXTWGEPZSA-N 244.290 3.394 30 50 BGEA CC[C@H](C)CC1=C(O)C(=O)c2ccccc2C1=O 95857884 OXYHMCFJQKEOSE-VIFPVBQESA-N 244.290 3.314 30 50 BGEA N#CC(=O)c1cc2c(s1)-c1ccccc1OC2 100792244 PGXVFQAQJWICIA-UHFFFAOYSA-N 241.271 3.014 30 50 BGEA COc1ccc(/C=C2\CCC[C@@H](C)C2=O)cc1 4547745 QGMNVHNWJKXOLJ-BVRAVYJCSA-N 230.307 3.468 30 50 BGEA N#CCC(=O)c1ccc(Cl)cc1Cl 16124860 AKSMJAXTUMPWCX-UHFFFAOYSA-N 214.051 3.090 30 50 BGEA in-vitro C[C@@H]1C[C@H]1[C@@H](NCC#N)c1ccc(Cl)cc1 195550424 RUELVKBUYXOLSS-WQAKAFBOSA-N 234.730 3.150 30 50 BGEA CCCC[C@H]1CO[C@H](c2ccc(C#N)cc2)OC1 257373029 ZCZHIMLDHBRGMF-CTYIDZIISA-N 245.322 3.410 30 50 BGEA C=C/C(O)=N/[C@H](c1ncc(C)s1)C1CC1 328594563 UXCOXYSUYYKMEQ-JTQLQIEISA-N 222.313 3.045 30 50 BGEA N#Cc1cccc(-c2cccc(C=O)c2)c1 1257278 USIJZLBTVWMYBG-UHFFFAOYSA-N 207.232 3.038 30 50 BGEA N#Cc1c(C2CC2)cc(C(F)(F)F)nc1S 2558547 LRVHLJFAHIJYNJ-UHFFFAOYSA-N 244.241 3.138 30 50 BGEA CCOc1ccc(/N=C2\CCCCCN2)cc1 4831791 FVKYQHGTZNYLRC-UHFFFAOYSA-N 232.327 3.279 30 50 BGEA O=[N+]([O-])c1ccccc1/C=N/Nc1ccccc1 12376651 FTVOQPHLIRKGNE-GXDHUFHOSA-N 241.250 3.041 30 50 BGEA Fc1cccc(/C=N\N=C/c2cccc(F)c2)c1 13719901 YYMCVDNIIFNDJK-XFQWXJFMSA-N 244.244 3.418 30 50 BGEA COc1cc(OC)c(Cl)c(CC#N)c1Cl 44126447 AZUUAIVVBYHHDN-UHFFFAOYSA-N 246.093 3.077 30 50 BGEA O=C1C(=Cc2ccccc2)C(=O)c2ccccc21 47342 OPKPFEWFKYKJCF-UHFFFAOYSA-N 234.254 3.149 30 50 BGEA biogenic CC(=O)c1ccc(/N=C/c2ccccc2O)cc1 17429022 NMHNMJLIXGLSFY-MHWRWJLKSA-N 239.274 3.345 30 50 BGEA N#C[C@@H](c1c(F)cccc1Cl)N1CCCC1 19796401 KQLWQUAMCZQIGV-NSHDSACASA-N 238.693 3.140 30 50 BGEA Cc1nc2cc(C#N)ccc2n1C1CCCC1 95496053 SBILYRHINIATQI-UHFFFAOYSA-N 225.295 3.332 30 50 BGEA in-vitro COC(=O)c1cccc(-c2cccc(C#N)c2)c1 1256608 GSUUESGOWAPLGP-UHFFFAOYSA-N 237.258 3.012 30 50 BGEA C[C@H](C=O)Cc1ccc(C(C)(C)C)cc1 2046162 SDQFDHOLCGWZPU-NSHDSACASA-N 204.313 3.362 30 50 BGEA biogenic C=C/C(O)=N/CCc1c(C)oc2ccccc12 328597042 CSUNLZXMEFAOBA-UHFFFAOYSA-N 229.279 3.426 30 50 BGEA N#Cc1sc(-c2ccc(F)cc2)cc1N 82774 TYZQYMLLLAZYPN-UHFFFAOYSA-N 218.256 3.008 30 50 BGEA in-vitro C=C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 102131321 SLGRVODTFJIPNB-XYPYZODXSA-N 225.332 3.256 30 50 BGEA in-vitro C=CCNCCOc1ccc(C(C)(C)C)cc1C 3002241 LQEHWAIVLTTXGA-UHFFFAOYSA-N 247.382 3.447 30 50 BGEA CN(C)c1ccc(N/C=C/C(=O)C(C)(C)C)cc1 18286668 VLSZBFXLXHWWLO-ZHACJKMWSA-N 246.354 3.293 30 50 BGEA N#Cc1ccc(C(F)(F)C(F)(F)F)cc1 34363441 RTEHQGJAXQGXIW-UHFFFAOYSA-N 221.128 3.212 30 50 BGEA in-vitro Cc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)cn1 200985458 ZTWWIDSZRPTZDJ-CMDGGOBGSA-N 245.131 3.035 30 50 BGEA Cc1ccc(N=Cc2ccc(O)cc2)cc1 254550341 LXUWDLKAQOFUGU-UHFFFAOYSA-N 211.264 3.451 30 50 BGEA Cc1cc(Cl)cc(Cl)c1CC#N 263623034 DAJAUYNJRUTKGR-UHFFFAOYSA-N 200.068 3.368 30 50 BGEA C#Cc1ccc(NC(=O)OC(C)(C)C)cc1 38862346 ZGJXAIOPBAMFSE-UHFFFAOYSA-N 217.268 3.015 30 50 BGEA CC1=C2[C@H]3C[C@H](C[C@@H]2[C@H](C)C1=O)C3(C)C 257355851 CZPXCCKQGOLXPO-CPOMMVLXSA-N 204.313 3.204 30 50 BGEA C=C[C@]1(O)C[C@]23CC=CC[C@@]21CCCC3 257358946 XMGYJXQEJIJHSW-MCIONIFRSA-N 204.313 3.204 30 50 BGEA C=C(C)C[C@H](C)C(=O)N1CC=CC12CCCC2 585128971 SKQRVDPVETYMOA-ZDUSSCGKSA-N 233.355 3.300 30 50 BGEA CC(C)(C)C(=O)/C=C/c1ccc(C#N)cc1 1624848 SYZNQPDJXCLKBG-CMDGGOBGSA-N 213.280 3.187 30 50 BGEA Cc1ccc(O)c(/N=C/c2ccccc2O)c1 2143540 FHQCBKGDZMFQNZ-OQLLNIDSSA-N 227.263 3.157 30 50 BGEA C#C[C@@H]1CCCC[C@H]1OC(=O)Oc1ccccc1 5282276 CAZHVEZNSQMSHQ-TZMCWYRMSA-N 244.290 3.394 30 50 BGEA Cc1cc(C)c(C#N)c(NC2CCCCC2)n1 19117529 OGCGPMSVOUVTIJ-UHFFFAOYSA-N 229.327 3.315 30 50 BGEA O=C(/C=C/c1ccc(O)cc1)c1ccccc1 4090723 PWWCDTYUYPOAIU-DHZHZOJOSA-N 224.259 3.288 30 50 BGEA biogenic,in-vitro C=CCNCc1c(OC)ccc2ccccc12 8494324 GKTCMQNRRHIIIJ-UHFFFAOYSA-N 227.307 3.124 30 50 BGEA O=[N+]([O-])c1cccc(/N=C/c2ccccc2)c1O 25560364 IUTIFKOAABGTKN-NTEUORMPSA-N 242.234 3.051 30 50 BGEA Oc1ccccc1/C=N/c1cccc(F)c1 95851154 ZUHWLAWLODQICJ-OQLLNIDSSA-N 215.227 3.282 30 50 BGEA CC(=O)c1ccccc1-c1nc(C)ccc1C#N 32558400 OXBRRQVZYLENRW-UHFFFAOYSA-N 236.274 3.131 30 50 BGEA C=CCCCNC(=O)c1occc1C(C)C 284925617 NMNOMUBYLRWZCJ-UHFFFAOYSA-N 221.300 3.099 30 50 BGEA C=CCOc1c(Cl)cc(C=O)cc1Cl 2726993 CJJQJAJJMMBMJT-UHFFFAOYSA-N 231.078 3.371 30 50 BGEA in-vitro C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NC1CCCC1)C2 100261414 LCBDSFMHRUSAEJ-BLLLJJGKSA-N 247.382 3.428 30 50 BGEA Cc1ccc(O)c(N/C=C/C(=O)C(C)(C)C)c1 464234 RUTGLBRVPBCGHL-BQYQJAHWSA-N 233.311 3.241 30 50 BGEA O=C(/C=C\c1cccc(O)c1)c1ccccc1 4532498 FGLRWHNZUBAWJK-KTKRTIGZSA-N 224.259 3.288 30 50 BGEA O=CC1CC(c2ccc(OC(F)(F)F)cc2)C1 1772799803 PKJPKIZGINMKSF-UHFFFAOYSA-N 244.212 3.278 30 50 BGEA N#Cc1ccccc1NC(=O)Nc1ccccc1 138636 WJBBZNVIKICMHI-UHFFFAOYSA-N 237.262 3.202 30 50 BGEA in-vitro CC(C)(C)/[N+]([O-])=C/C=C/c1ccccc1 405050 WRSFGWRUPJWTON-KSMSJBKCSA-N 203.285 3.079 30 50 BGEA CC(C)=NOC(=O)Nc1ccccc1Cl 4582975 UGQIWBAGAMCUTG-UHFFFAOYSA-N 226.663 3.284 30 50 BGEA C=C1[C@@H](C[N+](C)(C)C)C[C@H]2CC[C@H]1C2(C)C 101053570 BDNMHGCJPSVMEL-MGPQQGTHSA-N 222.396 3.321 30 50 BGEA N#Cc1cc(C#N)cc(Oc2ccc(F)cc2)c1 305608 NUTAWHYCKQTVTO-UHFFFAOYSA-N 238.221 3.361 30 50 BGEA C[C@H](OC(=O)c1ccc(C#N)[nH]1)C1CCCCC1 153425417 AVZRVDOGBZSAHB-JTQLQIEISA-N 246.310 3.012 30 50 BGEA N#Cc1cccc2c(-c3ccccc3)n[nH]c12 170622775 VDVZYCCRRPSFCU-UHFFFAOYSA-N 219.247 3.102 30 50 BGEA CC(C)O[C@@H](CCC#N)c1ccccc1 1691589 KBAUUAZQHABMLG-ZDUSSCGKSA-N 203.285 3.456 30 50 BGEA in-vitro COc1ccccc1N/C=C1/CCCCC1=O 2827600 OJCXPBHOLHVAAY-KHPPLWFESA-N 231.295 3.134 30 50 BGEA C#CCCCc1ncc(-c2ccccc2)cn1 252492364 MJZGYHNSNSYHKO-UHFFFAOYSA-N 222.291 3.100 30 50 BGEA CC#CC(=O)Nc1ccc(CCC(C)C)cc1 801141684 QRVKMUBNZGMWCI-UHFFFAOYSA-N 229.323 3.237 30 50 BGEA C=CCNC(=O)Nc1c(CC)cccc1CC 2171955 NAZCYWPLFSIFFZ-UHFFFAOYSA-N 232.327 3.119 30 50 BGEA CC1=C(C)C(=O)[C@](C)(c2ccccc2)[C@H](C)C1=O 4825696 NZWRFYFPTDOXFX-WBMJQRKESA-N 242.318 3.069 30 50 BGEA C=C1CC[C@@]23CCC[C@@]12C(=O)CC3(C)C 45028101 SGUDNJOABKFNNJ-KGLIPLIRSA-N 204.313 3.492 30 50 BGEA CC(C)=CCC1=C(O)c2ccccc2C(=O)C1=O 78934733 CWPGNVFCJOPXFB-UHFFFAOYSA-N 242.274 3.077 30 50 BGEA biogenic,in-vitro C=CCn1c(CC(C)C)nc2ccccc21 452527 ZBGSTKSESNBZKH-UHFFFAOYSA-N 214.312 3.421 30 50 BGEA C=CCOC(=O)Nc1ccc(C)cc1C 2170919 OLKXBTZMPYGUJU-UHFFFAOYSA-N 205.257 3.038 30 50 BGEA C=CC[C@H](C(=O)c1ccccc1)N1CCCCC1 4952090 YDQMSZAKZSJOMG-OAHLLOKOSA-N 243.350 3.300 30 50 BGEA C=C(C)[C@@H]1CC=C(CN2C[C@H](C)O[C@@H](C)C2)CC1 71928192 HABGVALJRPPCLM-OFQRWUPVSA-N 249.398 3.398 30 50 BGEA N#Cc1c(F)ccc(Cl)c1Br 258266344 VZAFJKZZVYBQHL-UHFFFAOYSA-N 234.455 3.113 30 50 BGEA C=C1C[C@]23CCC(=O)[C@H]1[C@@H]2CC(C)(C)C3 71786068 IBDKLGQMPVORIC-SUHUHFCYSA-N 204.313 3.348 30 50 BGEA Oc1ccccc1/C=N/c1ccc(Cl)cn1 100395786 OIKKSTQJBPWAQN-VGOFMYFVSA-N 232.670 3.191 30 50 BGEA C[C@H]1C=C(B2OC(C)(C)C(C)(C)O2)CCC1 202527659 WGEZNLKZTUCRTM-SNVBAGLBSA-N 222.137 3.364 30 50 BGEA c1ccc2c(c1)[C@H]1C[C@H]2[C@@]23O[C@@]12[C@H]1CC[C@H]3C1 230118212 GGSPSFJXXSUPBZ-SYCBCXHKSA-N 224.303 3.209 30 50 BGEA C=C[C@H]1CCCCN1c1cnc2ccccc2n1 252487544 HXLKFUWVYPSDHZ-LBPRGKRZSA-N 239.322 3.175 30 50 BGEA CC(C)(CC/N=C(/O)[C@H]1CCCOC1)C1CC1 328593365 FWQBAAYLQSAZBH-NSHDSACASA-N 239.359 3.196 30 50 BGEA CC1=NN([C@@H](C#N)c2ccccc2C)C(C)(C)C1 1443661 SUXSLOMDLODMLH-AWEZNQCLSA-N 241.338 3.420 30 50 BGEA C=CCN(CC=C)C(=O)c1ccc(CC)s1 16603276 HWRPTSGGMHPTMZ-UHFFFAOYSA-N 235.352 3.125 30 50 BGEA CC(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 169935828 ORRCXIHAXGJPNU-UHFFFAOYSA-N 246.159 3.109 30 50 BGEA in-vitro C=C(C)C[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 184855356 JCTPTGSAYSXIIA-NSHDSACASA-N 245.322 3.430 30 50 BGEA CC(=O)C1=Cc2cc(Cl)c(C)cc2OC1 675063730 MRBNFNUSBPBLGA-UHFFFAOYSA-N 222.671 3.013 30 50 BGEA Cc1ccc2nc(Cl)c(C#N)cc2c1 93680 SJNJYVWUJJNMSD-UHFFFAOYSA-N 202.644 3.068 30 50 BGEA in-vitro O=C(/C=C/c1cccs1)c1cc(F)ccc1O 4865541 VIZDSJZHPSTEAA-GQCTYLIASA-N 248.278 3.489 30 50 BGEA CC[C@H](C)/N=C(\S)Nc1ccccc1 5422760 WWIODCQAOPIKHL-VIFPVBQESA-N 208.330 3.183 30 50 BGEA Cc1cc(-c2ccc(C#N)cc2)ccc1O 65340242 NENYHEMJBYIEIC-UHFFFAOYSA-N 209.248 3.239 30 50 BGEA in-vitro C=C(Cl)CP(=O)(OCC)OCC 3132347 XXQBZWQBHJPOAS-UHFFFAOYSA-N 212.613 3.005 30 50 BGEA N#Cc1cc(Br)cc(Cl)c1F 15443833 CFAJQDDAWJDDIX-UHFFFAOYSA-N 234.455 3.113 30 50 BGEA Cc1cc(C(=O)Nc2ccccc2C#N)c(C)o1 6700041 DPPGVRISUCCKEY-UHFFFAOYSA-N 240.262 3.020 30 50 BGEA C=C1C[C@@H]2CC[C@H](C1)C2NC(=O)OC(C)(C)C 725240075 XBVAYOLUNWQDCX-FOSCPWQOSA-N 237.343 3.256 30 50 BGEA C=CCSc1ccccc1C(=O)NCCC 6743031 PYJBZJPKAYVQID-UHFFFAOYSA-N 235.352 3.105 30 50 BGEA CC(C)=C1[C@H]2CC[C@H]1[C@H]1CC=CC(=O)[C@H]21 101053034 VRTBMCNSNUKSFF-DEKYYXRVSA-N 202.297 3.124 30 50 BGEA C=C/C(O)=N/C[C@H]1CCCc2sc(C)nc21 328596877 BCUNJZZQFPEXPM-SECBINFHSA-N 236.340 3.014 30 50 BGEA C=CCOC(=O)Nc1cccc(Cl)c1 1655929 AKUHKJFFZQUCEH-UHFFFAOYSA-N 211.648 3.075 30 50 BGEA C=CCCNC(=O)Cc1cccc2ccccc12 5283046 ZLHUFRKEVODYPR-UHFFFAOYSA-N 239.318 3.075 30 50 BGEA O=C(/C=C/c1cccs1)c1ccc(O)cc1 8730064 SZSNJSQYWPJMKW-BQYQJAHWSA-N 230.288 3.350 30 50 BGEA CCOc1cccc(-c2ccc(C#N)cn2)c1 67726282 HUCZREVPPLGEOA-UHFFFAOYSA-N 224.263 3.019 30 50 BGEA N#Cc1cc(Cl)c(OC(F)F)cc1Cl 263624202 OHYDABXNWLUXHF-UHFFFAOYSA-N 238.020 3.466 30 50 BGEA CCCCCCCCC[C@@H](C)NCCCN 101172866 UAQKUOHTBRXSJO-CQSZACIVSA-N 228.424 3.454 30 50 BGEA C=CCOC(=O)Nc1cc(Cl)ccc1C 1646535 HHOLYYKHYQAYDJ-UHFFFAOYSA-N 225.675 3.383 30 50 BGEA C(=N/N=C/c1ccccc1)\c1ccccc1 1666677 CWLGEPSKQDNHIO-JOBJLJCHSA-N 208.264 3.140 30 50 BGEA in-vitro C=C(C)Cn1c(C2CC2)nc2ccccc21 4810065 QKUPNXSIWODKDA-UHFFFAOYSA-N 212.296 3.490 30 50 BGEA C=CCSC(=N)N/N=C/C=C/c1ccccc1 670418778 GPIQGDZKNAKBCQ-UJHPFZFGSA-N 245.351 3.129 30 50 BGEA CCCCCCCCCSC(=N)N 2913672 VOLYMZDARLLNQE-UHFFFAOYSA-N 202.367 3.364 30 50 BGEA Cc1ccccc1/N=C1\C[C@H](C)N(C)C[C@@H]1C 25558921 QWTISDOHQBTPQV-SAFUZZNQSA-N 230.355 3.428 30 50 BGEA C=C[C@@]1(C)[C@@H]2C=CC[C@@H]2[C@@]1(O)C(C)(C)C 71786274 ZGYPQNWZCDZTBP-UVLXDEKHSA-N 206.329 3.162 30 50 BGEA C=C1CCN(C(=O)OC(C)(C)C)CC1(C)C 139959710 GUQIYZVZECAHOT-UHFFFAOYSA-N 225.332 3.210 30 50 BGEA in-vitro C[Si](C)(C)C#CC[C@H](O)C1CCCCC1 169828394 LITPQCLWUBJBNR-ZDUSSCGKSA-N 224.420 3.199 30 50 BGEA C[C@@H]1CCC[C@@H](NCC(C)(C)CCC#N)C1 183867480 VWLASWOEKNSTHZ-CHWSQXEVSA-N 222.376 3.485 30 50 BGEA N#Cc1sccc1-c1ccc(F)cc1 725246339 VNBVXRQTJOEARA-UHFFFAOYSA-N 203.241 3.426 30 50 BGEA CC(=O)Nc1ccc(/N=C/c2ccccc2)cc1 3160390 ZVEHRCANNFQBHX-LFIBNONCSA-N 238.290 3.396 30 50 BGEA COc1cc(/C=N/c2ccccc2)ccc1O 84466362 NQTPEBUGIFUYEC-XNTDXEJSSA-N 227.263 3.151 30 50 BGEA CC1=CCC[C@]2(C)O[C@H]2C(=O)c2c(C)coc2C1 253688375 CVIVANCKIBYAOP-GJZGRUSLSA-N 246.306 3.211 30 50 BGEA biogenic,in-vitro N#CCc1cc(Cl)ccc1C(F)(F)F 2574970 XCPSZOAJWIBKNE-UHFFFAOYSA-N 219.593 3.425 30 50 BGEA in-vitro O=[N+]([O-])c1ccc(N/N=C/c2ccccc2)cc1 4390838 NOIFWEYOLLHIMW-GXDHUFHOSA-N 241.250 3.041 30 50 BGEA O/N=C/c1ccc(-c2cccs2)s1 108154 JGJDBQGWTDEWKE-UXBLZVDNSA-N 209.295 3.285 30 50 BGEA O=C(/C=C/c1ccc(O)cc1)c1cccs1 4854925 MCMNCKMDUDICKW-VMPITWQZSA-N 230.288 3.350 30 50 BGEA N#Cc1ccc(Cl)c(OC(F)(F)F)c1 12359234 ODWSOYAYOGSZIG-UHFFFAOYSA-N 221.565 3.110 30 50 BGEA Cc1cc(C(=O)Nc2ccccc2C#N)cs1 6726881 SIERNTYYFFVJKH-UHFFFAOYSA-N 242.303 3.181 30 50 BGEA CC/N=C/c1cc(Cl)cc(Cl)c1O 71773139 YIZVCOHOECJUEO-LFYBBSHMSA-N 218.083 3.138 30 50 BGEA N#Cc1cccnc1C=Cc1cc(F)ccc1F 1857531804 KHWMZSROUCOUJX-UHFFFAOYSA-N 242.228 3.402 30 50 BGEA Cc1ccc(C)c(/N=C2\NCCCS2)c1 509231 AXBCMDYSVYIPKV-UHFFFAOYSA-N 220.341 3.017 30 50 BGEA in-vitro C=CCNc1nc(-c2ccccc2)cs1 2141118 FREHXEYAZAQJFE-UHFFFAOYSA-N 216.309 3.408 30 50 BGEA in-vitro O/N=C(\CCc1ccccc1)C1(O)CCCCC1 4957534 TVHJIXPWADGYMQ-JQIJEIRASA-N 247.338 3.145 30 50 BGEA C=CC[C@H]1Cc2ccccc2[C@H](CC=C)N1 19735413 LKIGZPJQDYMQKT-ZFWWWQNUSA-N 213.324 3.394 30 50 BGEA N#Cc1cccc(-c2cccc(C#N)c2)c1 1258296 CNJJNOUAWHQIHN-UHFFFAOYSA-N 204.232 3.097 30 50 BGEA in-vitro CC(=O)c1ccc(NC2=CC(=O)C[C@H](C)C2)cc1 5211401 SDYPDIJPGWSTHI-SNVBAGLBSA-N 243.306 3.184 30 50 BGEA S/C(=N\N=C/c1ccco1)Nc1ccccc1 5237135 VEVZWLDVAFRIQA-LCYFTJDESA-N 245.307 3.011 30 50 BGEA C#CCSc1ccc(Br)cc1 41634783 AOUDEEYQDFNHEK-UHFFFAOYSA-N 227.126 3.174 30 50 BGEA COc1cc(C=O)cc(-c2ccc(C#N)cc2)c1 95495528 LVXFKBMXLFGVKJ-UHFFFAOYSA-N 237.258 3.046 30 50 BGEA CCCCCCCCCC(=O)N[C@H](CC)CO 100720111 YHFRYDQYXASQGT-CYBMUJFWSA-N 243.391 3.014 30 50 BGEA CCCCSc1nc(C)c(C(C)=O)cc1C#N 2497606 ADCUUGPRNLBFEF-UHFFFAOYSA-N 248.351 3.357 30 50 BGEA O/N=C1\CCCc2c1[nH]c1ccc(Cl)cc21 5770913 SFQBXMSMBXJAMG-RVDMUPIBSA-N 234.686 3.336 30 50 BGEA N#CCc1ccc(NC(=O)C2CCCCC2)cc1 37214 CBLLQSZKTKDHPI-UHFFFAOYSA-N 242.322 3.271 30 50 BGEA O/N=C/c1ccccc1OCc1ccc(F)cc1 6926832 IUBMYWIOUDJIKO-CXUHLZMHSA-N 245.253 3.213 30 50 BGEA Cc1cc(C#N)c(Cl)cc1Br 71792229 XXIPIJNMXXNYLM-UHFFFAOYSA-N 230.492 3.283 30 50 BGEA O=[N+]([O-])c1ccc(N=Cc2ccccc2O)cc1 250196967 OEJXTWLBSDOISG-UHFFFAOYSA-N 242.234 3.051 30 50 BGEA COc1ccc2c(c1)[C@H]1O[C@@H]1C1(CCCCC1)O2 100060949 QIPCGUKQTLNTJZ-KGLIPLIRSA-N 246.306 3.230 30 50 BGEA N#CC1(c2ccc(F)c(O)c2)CCCCC1 260107472 NMYAAAXJUXRHFS-UHFFFAOYSA-N 219.259 3.257 30 50 BGEA N#Cc1ccc(Cc2ccc(C#N)cc2)cc1 1716016 QHPFUQAZWHBITN-UHFFFAOYSA-N 218.259 3.021 30 50 BGEA in-vitro CC(C)=NOC(=O)Nc1ccc(C)cc1C 4583040 UEPOVLKKDNCHMD-UHFFFAOYSA-N 220.272 3.248 30 50 BGEA Cc1ccccc1[C@@](C#N)(CCCN)C(C)C 5712036 ZXMZREIKUXNHOO-OAHLLOKOSA-N 230.355 3.151 30 50 BGEA CCCCCCCCCNC(=O)CC[C@@H](C)O 3105730 PQYMRHJTUATPQL-CYBMUJFWSA-N 243.391 3.014 30 50 BGEA CC1=C(C)C(=O)[C@](C)(c2ccccc2)[C@@H](C)C1=O 4825699 NZWRFYFPTDOXFX-LRDDRELGSA-N 242.318 3.069 30 50 BGEA Cc1ccc(N/C=C/C(=O)c2ccco2)c(O)c1 13639125 HVQOEVKOACZOJQ-VOTSOKGWSA-N 243.262 3.102 30 50 BGEA N#CCc1ccc(SC(F)(F)F)cc1 2560243 HZIDFDPCOAUCGK-UHFFFAOYSA-N 217.215 3.365 30 50 BGEA O=C(NC1CCCCC1)ON=C1CCCCC1 6760955 PMQSGKBZZHSFCM-UHFFFAOYSA-N 238.331 3.365 30 50 BGEA N#Cc1ncccc1-c1ccc(Cl)cc1 85476936 GVWASMAZWFRZLO-UHFFFAOYSA-N 214.655 3.274 30 50 BGEA in-vitro C/C(=N\OCc1ccccc1)c1ccccn1 138400169 NUZFFMRKRXHMBH-FOWTUZBSSA-N 226.279 3.022 30 50 BGEA C=CC[C@@H](NCc1ccccc1)c1ccncc1 274824 JCZZZRJJTYOSNW-MRXNPFEDSA-N 238.334 3.489 30 50 BGEA C=CCn1c(-c2cccc(C)c2)n[nH]c1=S 617622 AGGUEVUAPLNPMU-UHFFFAOYSA-N 231.324 3.102 30 50 BGEA in-vitro N#Cc1cc(Cl)cc(C(F)(F)F)c1 2527777 RLHYYDKFOQSWIB-UHFFFAOYSA-N 205.566 3.230 30 50 BGEA in-vitro C=CCOc1cc(Cl)c(C=O)cc1OCC 2775434 GRKKQNMAJYLASY-UHFFFAOYSA-N 240.686 3.116 30 50 BGEA in-vitro O=C(/C=C/c1ccc(F)cc1)c1ccccc1O 3897184 BGVXUADKPAJQBF-JXMROGBWSA-N 242.249 3.427 30 50 BGEA CCCOc1ccc2[nH]cc(CC#N)c2c1 163194744 RLZXDTGKUKBHMJ-UHFFFAOYSA-N 214.268 3.023 30 50 BGEA N#Cc1ccc(Oc2ccccc2)cc1C#N 64487 CRZSSXUMRNESCC-UHFFFAOYSA-N 220.231 3.222 30 50 BGEA in-vitro N#Cc1ccc(OCc2ccccc2F)cc1 119977 RNXALKZCAFDYQC-UHFFFAOYSA-N 227.238 3.276 30 50 BGEA in-vitro C=CCCN1CCC(N(C)c2ccccc2)CC1 170635503 LUHKOJSVMQMSJB-UHFFFAOYSA-N 244.382 3.163 30 50 BGEA CC(C)(CCC#N)CNc1ccc(Cl)cn1 191935516 QDSVAKHKNVNGPJ-UHFFFAOYSA-N 237.734 3.477 30 50 BGEA N#C[C@@H]1OC12CCC(c1ccccc1)CC2 309433992 GUDDBKPFQZZBJP-MOKVOYLWSA-N 213.280 3.005 30 50 BGEA C=CCc1c(O)c(CC)cc2c(C)cc(=O)oc12 303971 YWKUKNJWDUCNMF-UHFFFAOYSA-N 244.290 3.098 30 50 BGEA C=CCc1cc(OC)c(OC)cc1[C@H](C)N(C)C 393183 KCXMMVIJQUYEOA-NSHDSACASA-N 249.354 3.055 30 50 BGEA Cc1ccc(NC2=CC(=O)CCC2)cc1C 462744 ADIMHYJEUFGPOJ-UHFFFAOYSA-N 215.296 3.352 30 50 BGEA CCCSc1nc(C)cc(C)c1C#N 1912928 VTXAHAZXXXZORZ-UHFFFAOYSA-N 206.314 3.072 30 50 BGEA O=C[C@]12[C@H]3c4ccccc4[C@@H]1[C@@H]2c1ccccc13 257355556 BGPKEBKJLXTIIX-DSPLQEQRSA-N 232.282 3.212 30 50 BGEA CC[C@@H]1CC[C@](C=O)(C[C@H]2CCCOC2)C1 689423370 IXMHPCHOKONKKZ-MGPQQGTHSA-N 224.344 3.199 30 50 BGEA O=[N+]([O-])c1cc(C=Nc2ccccc2)ccc1O 257346657 YILSMUQWQWNQDW-UHFFFAOYSA-N 242.234 3.051 30 50 BGEA Cc1cc(C)c(C#N)c(SC(C)(C)C)n1 332211 HTHMAJRMJQIIJN-UHFFFAOYSA-N 220.341 3.461 30 50 BGEA C=CCc1cccc(C)c1OCCNCCCC 3003070 XFWBMJKFDZJKMO-UHFFFAOYSA-N 247.382 3.492 30 50 BGEA O=C(/C=C/N(O)c1ccccc1)c1ccccc1 3107444 DUWQWTUTGYIHIR-VAWYXSNFSA-N 239.274 3.279 30 50 BGEA O=C(/C=C\c1ccccc1O)c1ccccc1 4566597 UDOOPSJCRMKSGL-KHPPLWFESA-N 224.259 3.288 30 50 BGEA Cc1ncsc1CN[C@@H](C)CCCCC#N 888098185 CQCWCLYQPCFMSI-JTQLQIEISA-N 237.372 3.014 30 50 BGEA Cc1cccc(N/C=C2/CCCCC2=O)c1 17837220 JBGUVHNEILPBOS-BENRWUELSA-N 215.296 3.434 30 50 BGEA C[C@]1(c2cc(Cl)ccc2Cl)O[C@H]1C#N 306684564 CZTSCHPNJOBOMT-VHSXEESVSA-N 228.078 3.131 30 50 BGEA C=CC[C@@H]1C=CC[C@@H](CC=C)N1C(=O)NC(C)C 1506417484 KJIQRHUWOBSGHR-ZIAGYGMSSA-N 248.370 3.256 30 50 BGEA CN(C)/C=C/C(=O)c1cc2ccccc2s1 1407085 AGCBOODCJANUSM-BQYQJAHWSA-N 231.320 3.159 30 50 BGEA C=CCOc1c(Cl)cc(C(=O)O)cc1Cl 2006684 RXLVKVUKUULKAK-UHFFFAOYSA-N 247.077 3.256 30 50 BGEA N#C[C@H]1OC12CCC(c1ccccc1)CC2 309433993 GUDDBKPFQZZBJP-ROKHWSDSSA-N 213.280 3.005 30 50 BGEA N#CCc1ccc(Cl)c(Br)c1 34457555 MHPCTXBOVJTCKT-UHFFFAOYSA-N 230.492 3.169 30 50 BGEA CCc1ccc(CN2CCC[C@@](C)(C#N)C2)s1 612405573 AKVFSQQPICMVGC-AWEZNQCLSA-N 248.395 3.436 30 50 BGEA C[C@@H]1CN(C)[C@H](C)C[C@]1(C#N)Cc1ccccc1 35360323 ZLORDNQSUUOOKL-IIAWOOMASA-N 242.366 3.099 30 50 BGEA Cc1c(C#N)c(N)n(C2CCCCC2)c1C 4205569 BPZGLNMCCGKOGJ-UHFFFAOYSA-N 217.316 3.064 30 50 BGEA N#CCCn1c(=S)sc2ccccc21 1712039 LUNDDJLLLGBJBJ-UHFFFAOYSA-N 220.322 3.346 30 50 BGEA C=CCSc1nnc2sc3ccccc3n12 2878952 HFZKXLDINQAKRE-UHFFFAOYSA-N 247.348 3.222 30 50 BGEA COc1ccc(/C=N/Nc2ccccc2)cc1 4031897 IZUQZLGWRCYWCB-RVDMUPIBSA-N 226.279 3.141 30 50 BGEA COCCC[C@H](C#N)c1ccc(Cl)cc1 225809525 HGRDTAKFSNMXMY-LLVKDONJSA-N 223.703 3.374 30 50 BGEA in-vitro N#CCc1ccc(NC(=O)c2cccs2)cc1 128099 REVMSZSIYLWEFH-UHFFFAOYSA-N 242.303 3.066 30 50 BGEA N#CCCn1c2c(c3ccccc31)CCCC2 2285769 NHUXXJPRIHSCBJ-UHFFFAOYSA-N 224.307 3.434 30 50 BGEA biogenic C=CCN(CC=C)CCOc1ccc(CC)cc1 20272369 IHFUVMNFABZVBF-UHFFFAOYSA-N 245.366 3.302 30 50 BGEA N#Cc1ccccc1Nc1ccccc1C#N 36785934 JGNDVMNUMRWBSN-UHFFFAOYSA-N 219.247 3.174 30 50 BGEA C#Cc1ccc(Br)c(C(F)(F)F)c1 91251932 ZTLSRSVRQFESSL-UHFFFAOYSA-N 249.029 3.449 30 50 BGEA in-vitro O=C(/C=C/Nc1ccc(F)cc1F)c1ccco1 616225 KTEAKLUXZUBCOY-AATRIKPKSA-N 249.216 3.366 30 50 BGEA C[C@H](C#N)c1ccccc1Br 38537020 CAKUAVIXSOZILM-SSDOTTSWSA-N 210.074 3.076 30 50 BGEA in-vitro CC(C)Oc1cccc(Br)c1C#N 95495723 AKFSBPKXJDZPKA-UHFFFAOYSA-N 240.100 3.108 30 50 BGEA CN(C)/C=C/C(=O)c1ccc2ccccc2c1 142432 IUVYDBZSZDZCMG-MDZDMXLPSA-N 225.291 3.098 30 50 BGEA in-vitro SCc1ccc(-c2ccc(CS)cn2)nc1 71773448 ZMDCFZNTOOSOBX-UHFFFAOYSA-N 248.376 3.003 30 50 BGEA N#Cc1ccc(C(=O)c2cccc(Cl)c2)cc1 34458230 ZBPCMVUHBDEGPG-UHFFFAOYSA-N 241.677 3.443 30 50 BGEA in-vitro C=C(C)C[C@H](C)C(=O)Nc1cc2cc[nH]c2cn1 585090788 IUTKRYXULPGDNY-JTQLQIEISA-N 243.310 3.104 30 50 BGEA Cc1ccc([C@H](C#N)C(=O)Cc2ccccc2)cc1 404816 UOFHTFKJSLPDGF-INIZCTEOSA-N 249.313 3.414 30 50 BGEA Cc1ccccc1N=Cc1ccc2c(c1)OCO2 254825009 VWZPXXBBFSLBEW-UHFFFAOYSA-N 239.274 3.474 30 50 BGEA CC(=O)c1cccc(-c2cccc(C#N)c2)c1 6159132 UVCNSNUNWCEGPT-UHFFFAOYSA-N 221.259 3.428 30 50 BGEA in-vitro Cc1ccc(C#N)c(-c2cccc3cccnc23)n1 43073249 PLHIMLGKSFVDIM-UHFFFAOYSA-N 245.285 3.477 30 50 BGEA C#Cc1c(Cl)cccc1Br 307696955 FQSKQVHWYUQPHX-UHFFFAOYSA-N 215.477 3.084 30 50 BGEA CC(C)(C)[C@@H]1CCc2c(sc(N)c2C#N)C1 35869 QDIYAWBTKKYATE-MRVPVSSYSA-N 234.368 3.353 30 50 BGEA CCCCCNc1ccc([N+](=O)[O-])cc1C#N 8702996 OFRVLJVTLVIBLX-UHFFFAOYSA-N 233.271 3.069 30 50 BGEA CCc1ccc(-n2c(C)cc(C=NO)c2C)cc1 244633706 GIEVZJITFCIQSG-UHFFFAOYSA-N 242.322 3.465 30 50 BGEA CC/C=C(\CC)B1Oc2ccccc2O1 170159866 UESZEZBDXVOEDP-JXMROGBWSA-N 202.062 3.232 30 50 BGEA CC(C)(B1OC(C)(C)C(C)(C)O1)C1CC1 2325904100 ZIKSUPSEWDNANX-UHFFFAOYSA-N 210.126 3.269 30 50 BGEA O=C(/C=C(\O)c1ccccc1)c1ccccc1 100030326 RZCYUOWKJNUVBF-KAMYIIQDSA-N 224.259 3.468 30 50 BGEA Clc1ccc(/N=C2\NCCS2)c(Cl)c1 4775513 WKHUCEWZQWLHHO-UHFFFAOYSA-N 247.150 3.317 30 50 BGEA O=C(/C=C/c1cccs1)c1cccnc1 12410296 NVUWRNPAXSWQED-AATRIKPKSA-N 215.277 3.039 30 50 BGEA C=C(C)[C@@H]1CC[C@@H](C)O[C@@H]1CN1CCCCC1 13509905 HBGZKWRENUTODV-QLFBSQMISA-N 237.387 3.232 30 50 BGEA O=C(/C=C\c1cccs1)c1cccnc1 33405421 NVUWRNPAXSWQED-WAYWQWQTSA-N 215.277 3.039 30 50 BGEA O=C1C=C(O)C[C@@H](c2c(F)cccc2Cl)C1 142510 KMNJRLQVFJOHBK-SSDOTTSWSA-N 240.661 3.368 30 50 BGEA Cc1ccccc1-n1nc2ccccc2c1C#N 196585155 DNWSGIWVURKQJG-UHFFFAOYSA-N 233.274 3.206 30 50 BGEA C=C(C)COc1ccc(C(=O)N[C@@H](C)CC)cc1 12137995 MBYSHPFSQGTWEC-LBPRGKRZSA-N 247.338 3.170 30 50 BGEA Cc1cc(Br)c(Cl)cc1C#N 67802613 MOZNNMJCKMEPEN-UHFFFAOYSA-N 230.492 3.283 30 50 BGEA FC1=C(Cl)C(F)(F)C(F)(F)C1(F)F 71790134 XUMFLKOMBYRBCK-UHFFFAOYSA-N 228.494 3.326 30 50 BGEA in-vitro CC1=C(SC(C)C)C(=O)c2ccccc2C1=O 402481 JBMPJFZKNXELGQ-UHFFFAOYSA-N 246.331 3.481 30 50 BGEA C=CCOC(=O)Nc1cccc(C(F)(F)F)c1 2147356 IYSQDTPHQMKYNF-UHFFFAOYSA-N 245.200 3.440 30 50 BGEA N#Cc1ccc(Oc2ccccc2[N+](=O)[O-])cc1 8080672 AKLSEFOAGVCQDZ-UHFFFAOYSA-N 240.218 3.259 30 50 BGEA in-vitro CN(C)/C=C/C(=O)c1ccc(C(C)(C)C)cc1 97756647 JGTIRSKOVUYUAT-ZHACJKMWSA-N 231.339 3.242 30 50 BGEA N#C[C@@H](C(=O)Cc1ccccc1)c1ccccc1 4826200 PGPFUKMIXWNORQ-OAHLLOKOSA-N 235.286 3.106 30 50 BGEA Cc1cc(C)cc(NC(=O)C#Cc2ccccc2)c1 6731076 ALSNZQJLNITQHU-UHFFFAOYSA-N 249.313 3.294 30 50 BGEA C=CC(C)(C)NC(=O)c1cscc1Cl 891262209 PITPAUAMXBUACJ-UHFFFAOYSA-N 229.732 3.096 30 50 BGEA C=C(C)CSCc1nc2ccccc2[nH]1 572489 LXCKMVZJZMRYST-UHFFFAOYSA-N 218.325 3.372 30 50 BGEA N#Cc1ccccc1Sc1ccccc1N 1624061 RROSHIIMNNWHFW-UHFFFAOYSA-N 226.304 3.292 30 50 BGEA in-vitro C=CCSc1nnc(-c2ccccc2)o1 2195076 HTUHCHUVYHAPMO-UHFFFAOYSA-N 218.281 3.015 30 50 BGEA C=CCc1cc(Cl)ccc1OCCN(C)C 4915169 ATSQKJJGZQDNKO-UHFFFAOYSA-N 239.746 3.009 30 50 BGEA CC(C)(C)OC(=O)Nc1ccc(CC#N)cc1 51606134 RMXGPJWRYXDDCW-UHFFFAOYSA-N 232.283 3.100 30 50 BGEA in-vitro C=CCN(CC=C)C(=O)Nc1ccccc1C 395263 SKBYEKVFGORNKZ-UHFFFAOYSA-N 230.311 3.201 30 50 BGEA CC(C)Oc1ccc(Br)cc1C#N 5727358 YRPPYKWHWKFYGJ-UHFFFAOYSA-N 240.100 3.108 30 50 BGEA in-vitro Cc1cc(O)cc(-c2cccc(C#N)c2)c1 65340241 UYUJGAPBDHQRSG-UHFFFAOYSA-N 209.248 3.239 30 50 BGEA in-vitro O=C(C[n+]1ccccc1)c1cccc2ccccc12 1667276 XUBSDFRQMPKQRF-UHFFFAOYSA-N 248.305 3.010 30 50 BGEA Cc1ncsc1CN[C@H](C)CCCCC#N 888098189 CQCWCLYQPCFMSI-SNVBAGLBSA-N 237.372 3.014 30 50 BGEA CON=C(c1ccccc1)c1ccccc1 1690836 MFZNRFQCOCWADL-UHFFFAOYSA-N 211.264 3.085 30 50 BGEA C=C(C)CN(CC)Cc1ccccc1OC 4988876 YRFCEALZZPDKNC-UHFFFAOYSA-N 219.328 3.093 30 50 BGEA CC(C)(C)C(=O)/C=C/Nc1ccc([N+](=O)[O-])cc1 16322664 JZHOJMVHLXHTNI-CMDGGOBGSA-N 248.282 3.136 30 50 BGEA O=C1CCCC/C1=C/Nc1cccc(F)c1 2093373 KOVUUGCHTPBVAD-KTKRTIGZSA-N 219.259 3.265 30 50 BGEA C=C[C@@](F)(Cl)C(F)(F)Br 63457944 VULPFOSLGWWARI-VKHMYHEASA-N 223.419 3.065 30 50 BGEA in-vitro N#CCc1nc(-c2ccc(F)cc2)cs1 137856 NZAVIOLUOHTQTC-UHFFFAOYSA-N 218.256 3.015 30 50 BGEA in-vitro CC(C)Oc1cc(Br)ccc1C#N 165997564 UVNQIMNRAKEMJH-UHFFFAOYSA-N 240.100 3.108 30 50 BGEA in-vitro CC(C)SCCN[C@@H](C)c1cccc(C#N)c1 241161302 JZTDWXYKUARKQJ-LBPRGKRZSA-N 248.395 3.350 30 50 BGEA CC[C@H](/N=C(/O)c1ccc(C#N)c(O)c1)C(C)C 331284369 WXDBWLKJKYETSC-LBPRGKRZSA-N 246.310 3.003 30 50 BGEA Cc1c(C#N)c(-c2cccnc2)nc2ccccc12 1239567675 IVKBHLWYXGXCPH-UHFFFAOYSA-N 245.285 3.477 30 50 BGEA COc1cc(C)ccc1C(=O)C=C(C)C 4825663 LPEXXUFLGSXMCJ-UHFFFAOYSA-N 204.269 3.153 30 50 BGEA C=CC[C@@H]1[C@H]2CC(=O)C(=C)[C@@]2(CC=O)CC1(C)C 71786077 GAMXUKLTWSPDNR-XJKCOSOUSA-N 246.350 3.329 30 50 BGEA Fc1c(F)c(F)c(C(F)F)c(F)c1F 77011886 AJNDNWYVKZRHBE-UHFFFAOYSA-N 218.071 3.320 30 50 BGEA Cc1ccc(-c2ccsc2C#N)cc1N 725245701 LHXGZMJDQSBGEK-UHFFFAOYSA-N 214.293 3.177 30 50 BGEA Cc1onc(-c2ccccc2Cl)c1C#N 1385246 LRKKASBLGOQPQQ-UHFFFAOYSA-N 218.643 3.175 30 50 BGEA N#Cc1c(F)cccc1Sc1ccccc1N 4054690 XIJAYNGTDPLKNZ-UHFFFAOYSA-N 244.294 3.431 30 50 BGEA CN(/N=C\C=C\c1ccccc1)c1ccccn1 16310509 MKVZMUNSEWQWKC-DESBJYGPSA-N 237.306 3.217 30 50 BGEA N#Cc1ccc2c(ccn2C(=O)c2ccccc2)c1 115657119 PNCAWOWJTFXKJV-UHFFFAOYSA-N 246.269 3.201 30 50 BGEA C=CCc1cc(OC)c(OC)cc1[C@@H](C)N(C)C 393184 KCXMMVIJQUYEOA-LLVKDONJSA-N 249.354 3.055 30 50 BGEA COc1ccc(Nc2cccc(C#N)c2)cc1 2527497 YGKSTQAVTJYOJT-UHFFFAOYSA-N 224.263 3.310 30 50 BGEA in-vitro O=C1CCCCCCCCCC[C@H]1[N+](=O)[O-] 5017898 SIKBTEDZSLYKRA-LLVKDONJSA-N 227.304 3.115 30 50 BGEA C=C(C)[C@H]1CC=C(C)[C@@H](OC(=O)CC)C1 56528 DFVXNZOMAOGTBL-RYUDHWBXSA-N 208.301 3.241 30 50 BGEA endogenous,in-man N#Cc1c(F)cccc1[C@H](C#N)c1ccccc1 169613 BFRVFSABWCMXEP-CYBMUJFWSA-N 236.249 3.353 30 50 BGEA CCCCCCCNC(=O)COc1ccccc1 2072508 JUWWOPZBDQUPAU-UHFFFAOYSA-N 249.354 3.152 30 50 BGEA CCCCCCCCn1ccsc1=O 127372743 KHFJYHBCIGXLMK-UHFFFAOYSA-N 213.346 3.270 30 50 BGEA CSC1=NC(C)(C)C[C@]12C=CC(=O)C(C)=C2 33609 FKYOXLLRFFZWKD-CYBMUJFWSA-N 235.352 3.002 30 50 BGEA CC(=O)C1=C(C)Nc2ccccc2S1 142488 WBZVLPUFAVZNKB-UHFFFAOYSA-N 205.282 3.025 30 50 BGEA N#CCc1ccc(C(=O)c2ccccc2F)s1 167346 RLRKKMNSIAYGNS-UHFFFAOYSA-N 245.278 3.184 30 50 BGEA Cc1cc(Cl)c(C#N)c(Br)c1 231464650 HZIYYMOYABJDSF-UHFFFAOYSA-N 230.492 3.283 30 50 BGEA N=C(NN=C/C=C\c1ccccc1)c1ccccc1 254408243 XGBVETYOKDVGAW-OIAJVEJOSA-N 249.317 3.301 30 50 BGEA N#C[C@@H](Cc1ccccc1)Sc1ccccn1 600874877 FWMIYCPRZULAOP-CYBMUJFWSA-N 240.331 3.309 30 50 BGEA Cc1nc(C#N)ccc1-c1cc(F)cc(F)c1 261361106 JWXYZBGVEQMRNR-UHFFFAOYSA-N 230.217 3.207 30 50 BGEA Cc1n[nH]cc1-c1ccc(C2CC2)c(C#N)c1 725271346 DNVUAKHKVQQTPV-UHFFFAOYSA-N 223.279 3.134 30 50 BGEA CC(C)(C)[C@H]1CCc2c(sc(N)c2C#N)C1 35868 QDIYAWBTKKYATE-QMMMGPOBSA-N 234.368 3.353 30 50 BGEA N#Cc1ccc(Oc2ccc(O)cc2)cc1 4176700 VAOVNHCRRUOGON-UHFFFAOYSA-N 211.220 3.056 30 50 BGEA in-vitro CCCCc1noc2c1/C(=N\O)CC(C)(C)C2 16134143 JQMOCCPPHIDJQZ-UVTDQMKNSA-N 236.315 3.168 30 50 BGEA C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccco1 12343307 BZPVJMZUXXJLAP-UKTHLTGXSA-N 245.238 3.024 30 50 BGEA CCCCCCCCCCN1CCNCC1 19365286 UUWUIWUPMVSNGJ-UHFFFAOYSA-N 226.408 3.032 30 50 BGEA in-vitro CC1(C#N)CCN(C(=O)C2CCCCCC2)CC1 227520187 XPTPUQLUIPJUOG-UHFFFAOYSA-N 248.370 3.109 30 50 BGEA O=C(/C=C\C(=O)c1ccccc1)c1ccccc1 31623337 WYCXGQSQHAXLPK-QXMHVHEDSA-N 236.270 3.308 30 50 BGEA CCCCn1c(C)nc2cc(C#N)ccc21 95217985 CWCIBXJCDXYWKY-UHFFFAOYSA-N 213.284 3.017 30 50 BGEA CC[C@@H]1CC[C@@](C=O)(Cc2cccnc2)C1 316689701 AZDKDUZQELQIPI-OCCSQVGLSA-N 217.312 3.020 30 50 BGEA N#C[C@H](Nc1ccccc1)c1ccccc1 392711 XOMUKMGWTCEDRE-AWEZNQCLSA-N 208.264 3.363 30 50 BGEA biogenic,in-vitro C#C[C@](C)(CC)NC(=O)Nc1c(C)cccc1C 585141815 YVIHRMDAOZJBSE-OAHLLOKOSA-N 244.338 3.227 30 50 BGEA N#Cc1cccnc1/C=C/c1cc(F)ccc1F 253425965 KHWMZSROUCOUJX-ZZXKWVIFSA-N 242.228 3.402 30 50 BGEA F[C@H]1C(F)(F)C(F)(F)C(F)(F)[C@@]1(F)Cl 140145136 ZIMKXLGBITZYGO-JCYAYHJZSA-N 248.500 3.149 30 50 BGEA CC#CCCCC(=O)Nc1cccc(OCC)c1 170596794 QFUTUVKTUPFLCV-UHFFFAOYSA-N 245.322 3.217 30 50 BGEA C=CCc1c(F)c(F)c(F)c(F)c1F 1995190 YBDBTBVNQQBHGJ-UHFFFAOYSA-N 208.129 3.111 30 50 BGEA biogenic,in-vitro N#CCCSc1nc2ccccc2s1 2141258 WICPQXGTHCPTGL-UHFFFAOYSA-N 220.322 3.302 30 50 BGEA CC1(C)CC(=O)C=C(Nc2ccccc2O)C1 6708013 LOZHRRULCDUFNP-UHFFFAOYSA-N 231.295 3.077 30 50 BGEA O=CC1CC(c2ccc(Br)cc2)C1 116382255 QOPKFIMHMRFBSW-UHFFFAOYSA-N 239.112 3.142 30 50 BGEA C[C@@H](C#N)c1ccc(Br)cc1 19728858 FSSOXPFLDSMDKO-ZETCQYMHSA-N 210.074 3.076 30 50 BGEA in-vitro Nc1c(F)cc(C(F)(F)F)cc1C(F)(F)F 139089089 JKMNFSUIDDSFNG-UHFFFAOYSA-N 247.113 3.446 30 50 BGEA Cc1ccccc1-c1nc(C#N)c(NC2CC2)o1 467749 WYHYEERPPGXASC-UHFFFAOYSA-N 239.278 3.096 30 50 BGEA CCCCSc1nc2c(cc1C#N)CCC2 2485594 ROHAJBSDCNYPGO-UHFFFAOYSA-N 232.352 3.334 30 50 BGEA CC(C)Oc1cc(Br)cc(C#N)c1 90411249 VQBKHFHKPIQAQJ-UHFFFAOYSA-N 240.100 3.108 30 50 BGEA C[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](C)C2 9668940 OYOSOUHKSKHZCY-ZJUUUORDSA-N 242.322 3.166 30 50 BGEA N#Cc1ccc(OC(F)(F)C(F)(F)F)cc1 1857779920 YJCXAVFFAQKYGZ-UHFFFAOYSA-N 237.127 3.092 30 50 BGEA CC1=NN([C@H](C#N)c2ccccc2C)C(C)(C)C1 1443660 SUXSLOMDLODMLH-CQSZACIVSA-N 241.338 3.420 30 50 BGEA C[Si](C)(C)C#Cc1cc(Cl)ccc1N 195875452 LGSZJGAWHOCXDM-UHFFFAOYSA-N 223.779 3.151 30 50 BGEA in-vitro CCc1cc(Oc2ccccc2C#N)nc(C)n1 253423806 FFHKHJUGYDBWLN-UHFFFAOYSA-N 239.278 3.011 30 50 BGEA C[C@@H]1c2ccccc2CCN1c1ccc(C#N)nc1 425235089 OPIUGCLNUCJFKL-GFCCVEGCSA-N 249.317 3.077 30 50 BGEA c1ccc2c(c1)c1ccccc1n2C[C@H]1CO1 158007 VAJIZAPXBKMPRO-NSHDSACASA-N 223.275 3.193 30 50 BGEA in-vitro CC(C)(C#N)SC(=S)c1ccc(C#N)cc1 71773504 GLQSCQVGVPUIPC-UHFFFAOYSA-N 246.360 3.269 30 50 BGEA CC(=O)c1cccc(/N=C/c2ccccc2O)c1 100007158 JFQORNWAPCFEIV-MHWRWJLKSA-N 239.274 3.345 30 50 BGEA N#Cc1ccc(Br)c(F)c1Cl 238557286 IURYJYBRHJJICY-UHFFFAOYSA-N 234.455 3.113 30 50 BGEA N#CC1(c2ccc(-c3cn[nH]c3)cc2)CCCC1 426470797 IYXCZTLTLDLFLX-UHFFFAOYSA-N 237.306 3.412 30 50 BGEA COc1ccc(-c2ccccc2C#N)cc1 1258377 MOSSOXPGEMBIQV-UHFFFAOYSA-N 209.248 3.234 30 50 BGEA in-vitro C=CCNC(=O)Nc1ccc(CCCC)cc1 6729802 LCLABARIYQMUNS-UHFFFAOYSA-N 232.327 3.337 30 50 BGEA N#CC1(c2ccc(OC(F)(F)F)cc2)CC1 41701512 FHRNEMBCAKCEAT-UHFFFAOYSA-N 227.185 3.140 30 50 BGEA C=C(C)CN[C@@H](C)c1sc(CC)nc1C 130773883 KTSQRQBFVKGOJS-VIFPVBQESA-N 224.373 3.241 30 50 BGEA N#CC(C#N)Cc1ccc(Cl)cc1Cl 169680 XBROKFPGLALJQE-UHFFFAOYSA-N 225.078 3.199 30 50 BGEA CC1=C2[C@@H](C[C@H]3C[C@H]2C3(C)C)[C@@H](C)C1=O 257355853 CZPXCCKQGOLXPO-GRLWKWRFSA-N 204.313 3.204 30 50 BGEA C=CCSc1ccccc1C(=O)NC(C)C 72434112 ZDOJEYMOVDETMU-UHFFFAOYSA-N 235.352 3.103 30 50 BGEA C=CCN(CC=C)C(=O)Nc1cccc(C)c1 395303 WARLDKDWQCJXBI-UHFFFAOYSA-N 230.311 3.201 30 50 BGEA C=CCNC(=O)Nc1cc(Cl)cc(Cl)c1 2143129 YKCKWOQEAZKDJC-UHFFFAOYSA-N 245.109 3.301 30 50 BGEA O=C1C=C(O)C[C@H](c2c(F)cccc2Cl)C1 100918658 KMNJRLQVFJOHBK-ZETCQYMHSA-N 240.661 3.368 30 50 BGEA N#Cc1cccc(OCc2ccc(F)cc2)c1 2890714 BNJNVYMMSDROJE-UHFFFAOYSA-N 227.238 3.276 30 50 BGEA C=CCNCCOc1ccc(C(C)C)c(C)c1 3003516 YIHKBFOHPQEGTI-UHFFFAOYSA-N 233.355 3.273 30 50 BGEA O=C(/C=C/NCc1ccccc1)c1cccs1 4997721 LKRMSNYCCBDABU-CMDGGOBGSA-N 243.331 3.234 30 50 BGEA CC(C)(C#N)c1ccc(-c2ncc(F)cn2)cc1 426496676 LDXAZCGWBPQPRF-UHFFFAOYSA-N 241.269 3.084 30 50 BGEA N#Cc1ccccc1CN1CCC2(CCCC2)C1 174269047 XICHHVDHDPOEAR-UHFFFAOYSA-N 240.350 3.324 30 50 BGEA C=CCSc1ccc(Cl)cc1C(=O)O 2584163 OFSPNRJNOMMPOM-UHFFFAOYSA-N 228.700 3.316 30 50 BGEA Cc1ccc(OCCCCCS)cc1 6416074 YIVKKQVJEYCBAQ-UHFFFAOYSA-N 210.342 3.474 30 50 BGEA COc1ccc(C#Cc2ccc(OC)cc2)cc1 392736 YKUOFMNGWLZXHA-UHFFFAOYSA-N 238.286 3.104 30 50 BGEA N#Cc1ccc(Cl)cc1N1CCCCC1 45028124 RCDRDHWZPRRGDW-UHFFFAOYSA-N 220.703 3.202 30 50 BGEA N#Cc1c(Cl)ccc(Cl)c1OC(F)F 263624676 SODJZNXOENDGTN-UHFFFAOYSA-N 238.020 3.466 30 50 BGEA CC[C@@H](CC#N)NC(=O)c1sccc1C1CC1 331797033 UNKHXMIKYPIRHZ-JTQLQIEISA-N 248.351 3.048 30 50 BGEA C=CC[N@@+](C)(CC#CC1CC1)C1CCCCC1 820499548 HXOFBMPUBSWYJM-KRWDZBQOSA-N 232.391 3.365 30 50 BGEA Cc1c(C#N)c(Cl)nc2ccccc12 166868 UTBTZPFJZNOSLP-UHFFFAOYSA-N 202.644 3.068 30 50 BGEA in-vitro C[C@@H]1CC(C)(C)N(C)c2ccc(C#N)cc21 223774610 KVSCRVRVQZJIJM-SNVBAGLBSA-N 214.312 3.280 30 50 BGEA N#CCCCCSCC(=O)Nc1ccccc1 252482756 DNBPPYLZUXGEKL-UHFFFAOYSA-N 248.351 3.052 30 50 BGEA C=CCCCC(=O)OCc1ccc(F)cc1F 2893019 JZUVJEQVSGOYBX-UHFFFAOYSA-N 240.249 3.364 30 50 BGEA C=CCC[C@H](C)Nc1cccc([S@](C)=O)c1 134944136 HUFVEBYJFFYZOX-MEDUHNTESA-N 237.368 3.191 30 50 BGEA CC1(C)CCCN(Cc2ccsc2)[C@@H]1C#N 225587076 UYLNQRPQCWSAKN-GFCCVEGCSA-N 234.368 3.262 30 50 BGEA C=C[C@@H]1CCCCN1c1ccnc(C(C)C)n1 225605559 IYTBTUXCTJTCEH-GFCCVEGCSA-N 231.343 3.145 30 50 BGEA Oc1ccccc1/C=N/c1ccc(S)cc1 601147058 SQVORBMHKMUYHO-NTEUORMPSA-N 229.304 3.432 30 50 BGEA C#C[C@H]1CCCC[C@@H]1OC(=O)Oc1ccccc1 404622 CAZHVEZNSQMSHQ-JSGCOSHPSA-N 244.290 3.394 30 50 BGEA C=CCn1c(-c2csc(C)c2)n[nH]c1=S 2569122 XYYGHOHDZSZNEZ-UHFFFAOYSA-N 237.353 3.164 30 50 BGEA O=C(/C=C/c1ccco1)c1ccc(F)cc1 4010006 BGWADTFLQQUACM-BQYQJAHWSA-N 216.211 3.315 30 50 BGEA Cc1ccc(C#N)cc1OC(=O)OC(C)(C)C 170663219 BXALAGBFGPIKNN-UHFFFAOYSA-N 233.267 3.181 30 50 BGEA N#Cc1ccc2ccn(C(=O)c3ccccc3)c2c1 216961154 UFDMWKZNCXCGOF-UHFFFAOYSA-N 246.269 3.201 30 50 BGEA CCN1/C(=C/C(=O)C2CC2)Sc2ccccc21 13301551 FTHYPCOAZDWXMR-ZROIWOOFSA-N 245.347 3.439 30 50 BGEA N#CC1(c2ccccc2Br)CC1 40456609 QGRRKIFTSXBLNX-UHFFFAOYSA-N 222.085 3.004 30 50 BGEA in-vitro C=C[C@H]([C@@]1(C=O)CCCCC1=O)[Si](C)(C)C 169831946 MVZWZBRMGVICIO-CHWSQXEVSA-N 238.403 3.209 30 50 BGEA N#CCc1cc(-c2ccccc2Cl)on1 1775955242 JXPCIJVHERKPMH-UHFFFAOYSA-N 218.643 3.061 30 50 BGEA N#CCCn1c2c(c3ccccc31)CCC2 2497055 JXMVUIDWTCQBPL-UHFFFAOYSA-N 210.280 3.044 30 50 BGEA COc1ccccc1/C=N/c1ccccc1 2165289 HBBUHFXBDZPAMN-RVDMUPIBSA-N 211.264 3.446 30 50 BGEA C=C(C)COC(OCC(=C)C)OCC(=C)C 3132344 MNQKGOKPECWEFQ-UHFFFAOYSA-N 226.316 3.048 30 50 BGEA CCc1[nH]c(=S)c(C#N)c2c1CCCC2 4843946 SCLRLTJBDNRRCW-UHFFFAOYSA-N 218.325 3.057 30 50 BGEA C/C(CC(C)C)=N/Nc1ccccc1[N+](=O)[O-] 4990102 QENXPURIUGIHHU-RAXLEYEMSA-N 235.287 3.429 30 50 BGEA C#CC12CCC(NC(=O)OC(C)(C)C)(CC1)CC2 220304928 MRDQUTGLADPWES-UHFFFAOYSA-N 249.354 3.237 30 50 BGEA C=CC[C@@H](C(=O)c1ccccc1)N1CCCCC1 4952088 YDQMSZAKZSJOMG-HNNXBMFYSA-N 243.350 3.300 30 50 BGEA C[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 19878395 FZIFOXATGJEMPB-CYBMUJFWSA-N 236.318 3.409 30 50 BGEA in-vitro O/N=C(/Cc1ccccc1)c1ccccc1 100007456 PWCUVRROUAKTLL-PFONDFGASA-N 211.264 3.108 30 50 BGEA Nc1ccc(Cl)cc1C#Cc1ccccc1 139139109 JUMNQMVRAKHPJD-UHFFFAOYSA-N 227.694 3.322 30 50 BGEA Cc1cnc(Cl)c(C#C[Si](C)(C)C)c1 169794124 ABYHZEUMHXSVFF-UHFFFAOYSA-N 223.779 3.272 30 50 BGEA in-vitro C=C[C@@H]([C@]1(C=O)CCCCC1=O)[Si](C)(C)C 169831939 MVZWZBRMGVICIO-STQMWFEESA-N 238.403 3.209 30 50 BGEA N#Cc1cc(F)c(N)cc1C1=CCCCC1 1875291441 ZDFZIJIEBMRHOA-UHFFFAOYSA-N 216.259 3.237 30 50 BGEA CCc1ccccc1NC(=O)ON=C(C)C 4776607 OMEFAUGVKYJJSW-UHFFFAOYSA-N 220.272 3.193 30 50 BGEA CCCC1CCC(c2ccc(C#N)c(=O)[nH]2)CC1 6682012 FMRQMDMREMHEMB-UHFFFAOYSA-N 244.338 3.320 30 50 BGEA CCCCCCCOC(=O)c1cccnc1 101365892 MBYWGKLWYUEAKO-UHFFFAOYSA-N 221.300 3.209 30 50 BGEA CC(C)(C)C1=CC=C(C(C)(C)C)C(=O)C1=O 2274837 YYBNZCMLHZKAKV-UHFFFAOYSA-N 220.312 3.083 30 50 BGEA in-vitro CC(C)=NOC(=O)Nc1cccc(C)c1C 4774935 RZSZIHHYBFHXME-UHFFFAOYSA-N 220.272 3.248 30 50 BGEA Cc1ccc(CB2OC(C)(C)C(C)(C)O2)cc1 169903561 IRKUSKILEFQOJQ-UHFFFAOYSA-N 232.132 3.169 30 50 BGEA in-vitro C=C(C)CN(CC)Cc1cc(Cl)ccc1O 214366 LBYYIYJRUNEUBL-UHFFFAOYSA-N 239.746 3.444 30 50 BGEA N=C(NN=C/C=C/c1ccccc1)c1ccccc1 254408245 XGBVETYOKDVGAW-XKBVOMFJSA-N 249.317 3.301 30 50 BGEA COc1ccc(/N=C/c2ccco2)cc1 270875 WAWJOIUQEZYIAH-UKTHLTGXSA-N 201.225 3.039 30 50 BGEA N#Cc1cccnc1NCc1ccccc1Cl 19439385 GSKYOEOXVRYLJM-UHFFFAOYSA-N 243.697 3.219 30 50 BGEA O=C(O)c1ccccc1/N=C/c1cccs1 2164339 SLCJMCQWOJDDLT-MDWZMJQESA-N 231.276 3.197 30 50 BGEA CC[C@@]1(c2ccccc2)CC[C@H](C#N)C1=N 4826169 CBRZMQFBVYDRGV-RISCZKNCSA-N 212.296 3.288 30 50 BGEA Cc1cccc(/C=C/C(=O)c2ccc(N)cc2)c1 16972016 NCWVAIXVAYKEKY-BJMVGYQFSA-N 237.302 3.473 30 50 BGEA C=CCC[C@@H](O)c1ccc(Br)cc1 34511287 YLEKBWCBWPNKNQ-LLVKDONJSA-N 241.128 3.449 30 50 BGEA in-vitro CC(C)=CCC(C#N)(CC=C(C)C)C(=O)O 2535704 SASKPRUTXWPBDF-UHFFFAOYSA-N 221.300 3.294 30 50 BGEA C/C(=N\Nc1ccccc1)c1ccccc1N 4520983 OHOPPWNOBIEEIT-LFIBNONCSA-N 225.295 3.105 30 50 BGEA C=C(C)CN[C@H](C)c1sc(CC)nc1C 130773664 KTSQRQBFVKGOJS-SECBINFHSA-N 224.373 3.241 30 50 BGEA CC1(C)OB(/C=C/[Si](C)(C)C)OC1(C)C 169794514 DAMNKYZWPOUBAV-CMDGGOBGSA-N 226.201 3.051 30 50 BGEA CCCOc1c(Cl)cc(C#N)cc1OCC 2767732 OTKWIHNZQAXBNN-UHFFFAOYSA-N 239.702 3.399 30 50 BGEA Cc1cccc(/N=C2/C(=O)Nc3ccccc32)c1 15773550 GRSXDGMHXFMYDY-UHFFFAOYSA-N 236.274 3.068 30 50 BGEA Cc1ccc(N=Cc2ccc3c(c2)OCO3)cc1 254706357 QXQWZMAEJYCEIG-UHFFFAOYSA-N 239.274 3.474 30 50 BGEA N#Cc1cc(Cl)cc(OC(F)F)c1Cl 263624157 NYQYRJGYDCZWHH-UHFFFAOYSA-N 238.020 3.466 30 50 BGEA CCCCCCC#CC(OCC)OCC 2579231 RTZXECZOXGVVTN-UHFFFAOYSA-N 212.333 3.359 30 50 BGEA C=C1CCC[C@H](NC(=O)OC(C)(C)C)C1 217768979 MWIJEJSTDCDUTG-JTQLQIEISA-N 211.305 3.010 30 50 BGEA in-vitro Cc1c(C)c(CC#N)c(C)c(C)c1CC#N 394695 CDHFCWXYLKPCJG-UHFFFAOYSA-N 212.296 3.052 30 50 BGEA in-vitro O=C1C=C2CCCC[C@@H]2[C@@H]2CCCC[C@H]12 100698433 JRMDUKMUBDZKCX-AVGNSLFASA-N 204.313 3.492 30 50 BGEA C=C(C)C1(C(=O)OC)[C@H]2CC[C@H]1c1ccccc12 101037475 UVXPEVPVSXVRIN-KBPBESRZSA-N 242.318 3.397 30 50 BGEA C[C@@]1(c2ccc(Cl)c(Cl)c2)O[C@H]1C#N 307212929 WJHODQZZMVTCQF-UWVGGRQHSA-N 228.078 3.131 30 50 BGEA CCC(=O)Nc1sc2c(c1C#N)CCCCC2 4646780 UUNVZANCCCDKBD-UHFFFAOYSA-N 248.351 3.237 30 50 BGEA CC1(C)[C@@H]2C[C@H]1C(C)(C)[C@H]1CC(=O)C=C21 71786467 WXJUUDGVYSFTGA-TUAOUCFPSA-N 204.313 3.204 30 50 BGEA C[C@H](CC#N)N(C)Cc1cc2ccncc2s1 596996556 UBAPRWYPASNHNN-SNVBAGLBSA-N 245.351 3.030 30 50 BGEA C/C(=C\B1OC(C)(C)C(C)(C)O1)C(F)(F)F 1857780175 PTEOQVLNKWOXGX-VOTSOKGWSA-N 236.042 3.126 30 50 BGEA C=CC[N+]1(CC#Cc2ccccc2)CCCCC1 1228055 VSNDFNUGTDDOOF-UHFFFAOYSA-N 240.370 3.225 30 50 BGEA Nc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 5023482 CGHSGKVDRBPTMC-XCVCLJGOSA-N 241.265 3.304 30 50 BGEA N#Cc1cccc(-c2ccc(C(=O)O)cc2F)c1 43578254 XEHSASRBHSRGRM-UHFFFAOYSA-N 241.221 3.063 30 50 BGEA in-vitro C=CCC[C@H](C)Nc1cccc([S@@](C)=O)c1 134944176 HUFVEBYJFFYZOX-ZBEGNZNMSA-N 237.368 3.191 30 50 BGEA C=C(C)CNCc1ccc(SC)cc1 153395662 ZXOVMZOCPNXDOG-UHFFFAOYSA-N 207.342 3.074 30 50 BGEA Cc1ccc(F)cc1CN1CCC[C@@](C)(C#N)C1 612406237 KFTCHJSSDGVEME-HNNXBMFYSA-N 246.329 3.260 30 50 BGEA C=CCNc1nnc(-c2ccc(C)cc2)s1 2331301 KQISLRBYRMYYKK-UHFFFAOYSA-N 231.324 3.111 30 50 BGEA N#C[C@H](c1c(F)cccc1Cl)N1CCCC1 19796400 KQLWQUAMCZQIGV-LLVKDONJSA-N 238.693 3.140 30 50 BGEA N#CC1(c2cccc(C(F)(F)F)c2)CC1 34940487 CRIZCGCPHXFSCH-UHFFFAOYSA-N 211.186 3.261 30 50 BGEA C[C@@]1(c2ccc(Cl)cc2Cl)O[C@H]1C#N 307082637 JSMVGVBJXJWHCB-UWVGGRQHSA-N 228.078 3.131 30 50 BGEA Cc1ccc(-c2noc(C3CCC3)n2)cc1C#N 725273423 AVHDRBYDUDOLEM-UHFFFAOYSA-N 239.278 3.184 30 50 BGEA C=CCOc1ccc(NC(=O)c2ccco2)cc1 6744694 HYWBXKVISWHDCA-UHFFFAOYSA-N 243.262 3.097 30 50 BGEA N#CCc1ccc(Br)c(Cl)c1 83593264 QPUYVYUBRXYIII-UHFFFAOYSA-N 230.492 3.169 30 50 BGEA in-vitro COc1ccccc1[C@@H](C#N)c1ccccc1 34119400 YNNSBGXURZYSCV-AWEZNQCLSA-N 223.275 3.351 30 50 BGEA C[C@@]1(c2ccc(Cl)cc2Cl)O[C@@H]1C#N 307082639 JSMVGVBJXJWHCB-ZJUUUORDSA-N 228.078 3.131 30 50 BGEA N#Cc1sccc1-c1cccc(F)c1 725245055 FAZULSIDHKRKSF-UHFFFAOYSA-N 203.241 3.426 30 50 BGEA C=CCc1ccccc1OCCN[C@@H](C)CC 2822773 TXNBJAGOGWASCK-ZDUSSCGKSA-N 233.355 3.182 30 50 BGEA O=C1C=C(Nc2cccc(Cl)c2)CCC1 4265248 YXLDBVLXNIGYEP-UHFFFAOYSA-N 221.687 3.389 30 50 BGEA biogenic CC[C@]1(c2ccccc2)CC[C@@H](C#N)C1=N 5431689 CBRZMQFBVYDRGV-SMDDNHRTSA-N 212.296 3.288 30 50 BGEA COc1ccc(/C=C/C=C\C=C\C(C)=O)cc1 222236182 QMLCFYORGOXVOR-MBAZBMQQSA-N 228.291 3.410 30 50 BGEA O=C(/C=C/c1ccc[nH]1)c1ccc(F)cc1 4302987 PFAYUUYAZWXWSV-BQYQJAHWSA-N 215.227 3.050 30 50 BGEA C(C#Cc1ccccc1)#Cc1ccccc1 1607315 HMQFJYLWNWIYKQ-UHFFFAOYSA-N 202.256 3.090 30 50 BGEA biogenic,in-vitro CC(C)N(CCC#N)C(=S)Nc1ccccc1 71773422 XURCEXLFYZMLBD-UHFFFAOYSA-N 247.367 3.007 30 50 BGEA N#CC(Cl)(Cl)C(Cl)(Cl)Cl 3075409 KWZPNWCXKTZUJZ-UHFFFAOYSA-N 227.305 3.054 30 50 BGEA N#Cc1ccc(Sc2ccccc2)c(N)c1 166289 JZJNVBOMYDXLIY-UHFFFAOYSA-N 226.304 3.292 30 50 BGEA N#Cc1ccc(NC(=O)CC2CCCC2)cc1 15540268 LTOVIXLGCKJPNB-UHFFFAOYSA-N 228.295 3.077 30 50 BGEA in-vitro O=C1/C=C\CCCc2ccc(cc2)CC1 4795398 HWMNLHCSJRPJQE-HYXAFXHYSA-N 200.281 3.081 30 50 BGEA Oc1ccccc1N=Cc1ccc(F)cc1 254848330 IUPUQXNVHRUSEI-UHFFFAOYSA-N 215.227 3.282 30 50 BGEA C=CCc1cc(C)ccc1OCCN1CCCC1 4845571 VZJMDAUSBKWPOR-UHFFFAOYSA-N 245.366 3.198 30 50 BGEA C(=N/Nc1cccc2cccnc12)\c1ccccn1 5009637 OWNBHZAKTGCIQZ-WOJGMQOQSA-N 248.289 3.076 30 50 BGEA CC[C@H](CC#N)Nc1ccc(C(F)(F)F)cn1 225591685 QEDWNADLSOEUIR-SECBINFHSA-N 243.232 3.205 30 50 BGEA C[C@H]1C[C@H](C)C(O)=C(/C=N/c2ccccc2)C1=O 6714194 VLPGMAMRLGEOCK-VLBYMVCWSA-N 243.306 3.446 30 50 BGEA C#Cc1ccc(C#Cc2ccccc2)cc1 95080086 WAUKYPQSFIENDE-UHFFFAOYSA-N 202.256 3.068 30 50 BGEA in-vitro Cc1cccc(C(=O)Nc2ccc(C#N)cc2)c1 143161 SUGBEAJLPVSROX-UHFFFAOYSA-N 236.274 3.119 30 50 BGEA C[C@@H]1CCCCN1[C@@H](C#N)c1ccccc1 67738774 QHSUURFZKOEDDJ-OCCSQVGLSA-N 214.312 3.126 30 50 BGEA COc1ccc(/N=C/c2ccccc2O)cc1 13406325 CLPLWYCYULVJFH-XNTDXEJSSA-N 227.263 3.151 30 50 BGEA biogenic CC(C)COc1cccc(Cl)c1CC#N 309138747 SODWYVZDXSNSKC-UHFFFAOYSA-N 223.703 3.441 30 50 BGEA Oc1ccccc1/N=C/c1ccccc1F 40908 SDHKTTFTBJGDQX-OQLLNIDSSA-N 215.227 3.282 30 50 BGEA C=CCNCCOc1cccc(C(C)(C)C)c1 4868580 WHIITWRFASLFRP-UHFFFAOYSA-N 233.355 3.139 30 50 BGEA C=CCN(CC=C)C(=O)Nc1cccc(F)c1 6699093 PRPWXZOLFYSUCB-UHFFFAOYSA-N 234.274 3.032 30 50 BGEA C=C(C)c1cc(NC(C)=O)c(OC)cc1Cl 222052780 CEFUUDDJWYTUIW-UHFFFAOYSA-N 239.702 3.340 30 50 BGEA C=CCOc1ccccc1CN1CCC(C)CC1 16662918 IXMKFVSCIPNPCP-UHFFFAOYSA-N 245.366 3.483 30 50 BGEA Cc1cc(C)c(-n2cccc2/C=N\O)c(C)c1 100427749 KTGDFCJJAMJJCQ-DHDCSXOGSA-N 228.295 3.211 30 50 BGEA COC(=O)c1ccc(-c2ccccc2C#N)cc1 1258460 ZSTFCQLEIZCGLE-UHFFFAOYSA-N 237.258 3.012 30 50 BGEA in-vitro C#CCOc1ccc(NC(=O)OC(C)(C)C)cc1 91692460 FFYMJYNHDBVDTA-UHFFFAOYSA-N 247.294 3.046 30 50 BGEA O=C1/C(=C2\C[C@H]3CC[C@H]2C3)[C@H]2CC[C@H]1C2 102319153 CBNZTEUUQBQIRO-FCPXSZSCSA-N 202.297 3.102 30 50 BGEA Cc1nn(C(C)C)cc1-c1ccc(C#N)cc1 426597232 NPGDKCVPAXFDJD-UHFFFAOYSA-N 225.295 3.311 30 50 BGEA N#Cc1ccccc1CSc1ccccn1 468235 HVALTVOEPXMWGN-UHFFFAOYSA-N 226.304 3.246 30 50 BGEA CCCCCCCCCCN1C(=O)C=CC1=O 1542862 PZQWVKKXPIZFHC-UHFFFAOYSA-N 237.343 3.052 30 50 BGEA N#C[C@H](c1ccccc1)c1ccc(F)cc1 2045849 LRNPWSOSXVCRKG-CQSZACIVSA-N 211.239 3.481 30 50 BGEA in-vitro CCC[C@H]1CCc2c(sc(N)c2C#N)C1 442781 CMJOQDLSCOMRQU-QMMMGPOBSA-N 220.341 3.107 30 50 BGEA C=CCNC(=O)Nc1ccc(Cl)cc1Cl 2171015 ZEYBCZBHTADNKJ-UHFFFAOYSA-N 245.109 3.301 30 50 BGEA C=CCNc1c2c(nc3ccccc13)CCC2 4159188 VALSFAFDUABSDV-UHFFFAOYSA-N 224.307 3.321 30 50 BGEA N#Cc1c(Nc2ccc(F)cc2)ccnc1Cl 22023399 SCVUMZUYFJBGOB-UHFFFAOYSA-N 247.660 3.489 30 50 BGEA CCCCCCCCCCC[C@H](O)CNC=O 101132410 NSWPGFZIEKTBHA-AWEZNQCLSA-N 243.391 3.014 30 50 BGEA CCN(CCSC)Cc1ccc(C)c(C#N)c1 599452475 QJKBNBBVCMTZTE-UHFFFAOYSA-N 248.395 3.052 30 50 BGEA CC1(C)OB(C2=CCC(F)(F)CC2)OC1(C)C 170021488 WSLRIJFIFPFAFB-UHFFFAOYSA-N 244.090 3.363 30 50 BGEA C=CCc1cccc(C)c1OCCCCN(C)C 2824133 WLNCUEIROAKSRL-UHFFFAOYSA-N 247.382 3.444 30 50 BGEA C=C1C[C@@]2(O)O[C@@]3(CC2=C(C)C)[C@H](C)CC[C@H]13 15160858 DEBDFZGNZTYPMF-RJZRQDKASA-N 234.339 3.177 30 50 BGEA endogenous,in-man CCn1ccc(/C=C/C(=O)c2ccc(C)cc2)n1 6490320 VBXIULMFEHIHTK-CMDGGOBGSA-N 240.306 3.108 30 50 BGEA Cc1ccc2cc(C#N)c(Cl)nc2c1C 11985228 GCDISHIYBYNBRY-UHFFFAOYSA-N 216.671 3.377 30 50 BGEA in-vitro O=C1CCCC/C1=C\Nc1ccc([N+](=O)[O-])cc1 18255886 BMCKFBFADUFBSJ-MDZDMXLPSA-N 246.266 3.034 30 50 BGEA CC1(C)[C@@H]2CC(=O)C=C2[C@H]2C[C@@H]1C2(C)C 101141644 WXJUUDGVYSFTGA-UTUOFQBUSA-N 204.313 3.204 30 50 BGEA C[C@H](NCCCCCF)c1cccc(C#N)c1 253416365 KKEDDHJSBBDFCP-LBPRGKRZSA-N 234.318 3.349 30 50 BGEA CC(C)(C)OC(=O)/N=C/c1ccccc1 33994139 XFRQMBFCAKTYIV-UKTHLTGXSA-N 205.257 3.041 30 50 BGEA Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 233203 NWSPEKLGHUDDMP-UHFFFAOYSA-N 236.274 3.119 30 50 BGEA O=[N+]([O-])c1ccc(O)c(/C=N/c2ccccc2)c1 5004321 YGHDLAGZWXIPNK-NTEUORMPSA-N 242.234 3.051 30 50 BGEA C=CCn1c(CC2CCCCC2)n[nH]c1=S 5899388 NLYDNKPULSKETD-UHFFFAOYSA-N 237.372 3.249 30 50 BGEA Fc1ccc(C(F)(F)C(F)(F)F)c(F)n1 96024089 UAHBBQCGKWLYOU-UHFFFAOYSA-N 233.086 3.014 30 50 BGEA C=C(CCC)C(=O)OCc1ccccc1 2548251 VVMMMVHSJPQPMA-UHFFFAOYSA-N 204.269 3.086 30 50 BGEA CCCCCCN/C=C/C(=O)c1ccccc1O 71774009 IHRGTPHSGSLYCQ-ZRDIBKRKSA-N 247.338 3.259 30 50 BGEA C#CCCCCN[C@H](C)c1ccccc1F 130764715 MSJLDKGYZQJLAY-GFCCVEGCSA-N 219.303 3.280 30 50 BGEA N#Cc1ccc(-c2ccc(C=O)cc2)cc1 2528934 RCQRVCXPHMXSRD-UHFFFAOYSA-N 207.232 3.038 30 50 BGEA C#CCOc1c(Cl)cccc1Cl 2510244 HCGOBPUSIBTNRV-UHFFFAOYSA-N 201.052 3.005 30 50 BGEA N#Cc1cccc(-c2ccc(O)c(F)c2)c1 65340706 PTNAUPLYUSSPKH-UHFFFAOYSA-N 213.211 3.070 30 50 BGEA in-vitro N#Cc1ccc(CSC2CCOCC2)s1 408523029 OBDIZDFPQHLUPR-UHFFFAOYSA-N 239.365 3.032 30 50 BGEA CC1(C)CC(=O)C=C(Nc2ccccc2C#N)C1 281404 IXPVVOPDXTXQOP-UHFFFAOYSA-N 240.306 3.243 30 50 BGEA biogenic ON=C1CC2(CCCCC2)c2ccccc21 257355868 DCTAYJPSZBROIW-UHFFFAOYSA-N 215.296 3.471 30 50 BGEA N#Cc1ccc(F)c(-c2cc(C#N)ccc2F)c1 1250634697 ZYMIYMCCNVOSAC-UHFFFAOYSA-N 240.212 3.375 30 50 BGEA CC(C)(C)c1ccc([C@]2(C)O[C@@H]2C#N)cc1 309420820 BYRYLUJBFLUAET-OCCSQVGLSA-N 215.296 3.122 30 50 BGEA CC[C@H]1CC[C@@](C=O)(Cc2cccnc2)C1 316689700 AZDKDUZQELQIPI-JSGCOSHPSA-N 217.312 3.020 30 50 BGEA C=CCOc1ccccc1NC(=O)c1ccco1 9815051 VJDYCXFGGMFACR-UHFFFAOYSA-N 243.262 3.097 30 50 BGEA C(=N/Cc1ccccc1)\c1ccc2c(c1)OCO2 18008379 BGNGXFPSLBOGHI-MHWRWJLKSA-N 239.274 3.034 30 50 BGEA C[C@]1(c2ccc(Cl)c(Cl)c2)O[C@@H]1C#N 307212927 WJHODQZZMVTCQF-NXEZZACHSA-N 228.078 3.131 30 50 BGEA C[C@@H](/N=C(/O)c1ncoc1C1CC1)C1CCCC1 328898176 XZPLWQOUKSFRJR-SECBINFHSA-N 248.326 3.435 30 50 BGEA C#CC(CC)(CC)NC(=O)Nc1cccc(F)c1 6730607 KTHHDXWBDNTOEN-UHFFFAOYSA-N 248.301 3.139 30 50 BGEA CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 804898 RFIZXKQWWBSQHB-QMMMGPOBSA-N 248.351 3.093 30 50 BGEA CC(C)(C)C(=O)/C=C/c1ccc2c(c1)OCO2 2147007 LXFNQCGNCFRKRR-FNORWQNLSA-N 232.279 3.044 30 50 BGEA in-vitro C#Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1 113929052 HMPCDHZPSSMDNJ-UHFFFAOYSA-N 231.295 3.039 30 50 BGEA CN1CCC([C@@H](C#N)c2ccc(Cl)cc2)CC1 169795030 GZBQLCAJEXWOOC-AWEZNQCLSA-N 248.757 3.289 30 50 BGEA CCCC1COC(c2ccc(C#N)cc2)OC1 246010 GQPFCPRCGONDNN-UHFFFAOYSA-N 231.295 3.020 30 50 BGEA CCCCCCCOc1ccc(C(N)=O)cc1 2022869 BZYLVTUPGZNSSR-UHFFFAOYSA-N 235.327 3.135 30 50 BGEA C=CCOc1c(CC=C)cc(C=O)cc1OCC 8253921 JQCZHNODHHLSGN-UHFFFAOYSA-N 246.306 3.191 30 50 BGEA Cc1ccc(N=Cc2ccccc2O)cc1 253618231 LXHFZWNBMULGIO-UHFFFAOYSA-N 211.264 3.451 30 50 BGEA CC[C@@H]1CC[C@@](C=O)(C[C@@H]2CCCOC2)C1 689423390 IXMHPCHOKONKKZ-RDBSUJKOSA-N 224.344 3.199 30 50 BGEA COc1cc(C#N)ccc1OCc1ccccc1 296146 RUEQNYRXPSUQBC-UHFFFAOYSA-N 239.274 3.146 30 50 BGEA COc1ccc(/C=C/C=C/C=C/C(C)=O)cc1 2905620 QMLCFYORGOXVOR-OKWWDJPNSA-N 228.291 3.410 30 50 BGEA Cc1cc(C)c2cc(C#N)c(Cl)nc2c1 11985167 GPSMXYFOSPFFEJ-UHFFFAOYSA-N 216.671 3.377 30 50 BGEA in-vitro CC1(C#N)CCN(C/C=C/c2ccccc2)CC1 227352239 WJBSIFBHILGAGS-VMPITWQZSA-N 240.350 3.325 30 50 BGEA O/N=C(\Cl)c1ccc(Cl)cc1Cl 166650 GXBVZCSCOBTMHS-XFFZJAGNSA-N 224.474 3.368 30 50 BGEA COc1ccc(/N=C/c2ccccc2)cc1 100007605 LKHMZCUKGPUKEA-RVDMUPIBSA-N 211.264 3.446 30 50 BGEA c1ccc(-c2ccc(OC[C@@H]3CO3)cc2)cc1 2383172 GXANCFOKAWEPIS-OAHLLOKOSA-N 226.275 3.131 30 50 BGEA in-vitro CCCCC1COC(c2ccc(C#N)cc2)OC1 2505921 ZCZHIMLDHBRGMF-UHFFFAOYSA-N 245.322 3.410 30 50 BGEA C(=N/c1cccnc1)\c1c[nH]c2ccccc12 101165383 ORFGBHFBILRCNW-LZYBPNLTSA-N 221.263 3.314 30 50 BGEA COc1ccc(Oc2ccccc2/C=N/O)cc1 13113916 VQIZBHKIVMCESZ-XNTDXEJSSA-N 243.262 3.296 30 50 BGEA N#Cc1ccc2cc(Br)ccc2c1 34338670 BIIXVAHSLRLVJB-UHFFFAOYSA-N 232.080 3.474 30 50 BGEA N#CCc1ccc(-c2ccc(CC#N)cc2)cc1 1699485 GICPRLWIFVXEPU-UHFFFAOYSA-N 232.286 3.486 30 50 BGEA C[C@]1(c2ccc(Cl)c(Cl)c2)O[C@H]1C#N 307212931 WJHODQZZMVTCQF-VHSXEESVSA-N 228.078 3.131 30 50 BGEA C#Cc1cccc(NC(=O)OC(C)(C)C)c1 39094083 OVWBYRQRBCBWDM-UHFFFAOYSA-N 217.268 3.015 30 50 BGEA C=CCCC[C@H](C(=O)OC)c1ccccc1 43214783 PBAUAGYQNQJQJG-ZDUSSCGKSA-N 218.296 3.300 30 50 BGEA CSc1ccccc1C1(C#N)CCC1 44124819 IFXBVFSAOIPYJP-UHFFFAOYSA-N 203.310 3.354 30 50 BGEA C=CCN(CC=C)C(=O)Nc1ccc(C)cc1 396209 UVGCCVNYOQSGHN-UHFFFAOYSA-N 230.311 3.201 30 50 BGEA C=C1CC[C@@]23CCC[C@]12C(=O)CC3(C)C 101037711 SGUDNJOABKFNNJ-ZIAGYGMSSA-N 204.313 3.492 30 50 BGEA CCCNc1ccc(Br)cc1C#N 132687188 XIOWOJIUDDNCBN-UHFFFAOYSA-N 239.116 3.143 30 50 BGEA CC1(C)OB([C@H]2[C@@H]3CCCC[C@@H]32)OC1(C)C 725343663 GGLMQBKCHIMSCP-URLYPYJESA-N 222.137 3.269 30 50 BGEA C=C(Cl)CSC(=S)N(CC)CC 1733836 XJCLWVXTCRQIDI-UHFFFAOYSA-N 223.794 3.099 30 50 BGEA in-vitro O=C(/C=C(\O)C(F)(F)C(F)F)c1ccccc1 100467934 HZUXLZPCOLMISR-TWGQIWQCSA-N 248.175 3.212 30 50 BGEA N#Cc1ccc(-c2ccc(C#N)cc2)cc1 85632 KAXYYLCSSXFXKR-UHFFFAOYSA-N 204.232 3.097 30 50 BGEA COc1ccc([C@H](CC#N)C(C)C)cc1 477159 DBEWBAWCXLWOMD-CYBMUJFWSA-N 203.285 3.348 30 50 BGEA C=CCNCCCOc1ccc(Cl)c(C)c1 2900388 URLHIWRKYYPABU-UHFFFAOYSA-N 239.746 3.193 30 50 BGEA CC(C)(C)OC(=O)n1ccc2ccc(C#N)cc21 12471818 DCIWEPSVBLICSS-UHFFFAOYSA-N 242.278 3.296 30 50 BGEA in-vitro O=C(/C=C\c1ccco1)c1ccc(F)cc1 16923779 BGWADTFLQQUACM-FPLPWBNLSA-N 216.211 3.315 30 50 BGEA N#C/C(=N\Nc1ccccc1)c1ccccc1 5081146 ILCWBHVGJXBWDV-SAPNQHFASA-N 221.263 3.026 30 50 BGEA O=C(O)c1ccc(/N=C/c2ccc(F)cc2)cc1 5513145 IPHVTWWSNJABIK-CXUHLZMHSA-N 243.237 3.275 30 50 BGEA Cc1cccnc1/N=C/N(C)c1ccccc1 71773864 SPXCZXZOIRXZGE-LFIBNONCSA-N 225.295 3.186 30 50 BGEA C=C(C)COc1cccc(C(=O)N[C@H](C)CC)c1 6746727 ISEIXFKAGCLEOA-GFCCVEGCSA-N 247.338 3.170 30 50 BGEA C=CCC(C)(C)c1nc2c(cnn2CC2CC2)[nH]1 19228682 WVZHTVUZUJXOMU-UHFFFAOYSA-N 244.342 3.023 30 50 BGEA Cc1ccc(/C=N/n2ccc3cccnc32)cc1 4052134 QJTAQFFNUQNTOS-GZTJUZNOSA-N 235.290 3.227 30 50 BGEA CCCCCCCCCNC(=O)CCS 100312598 CKRXZOZYQYDWIQ-UHFFFAOYSA-N 231.405 3.173 30 50 BGEA N#CCc1cc(Cl)c(Cl)cc1F 263623382 GYKOWRBFCQHDRK-UHFFFAOYSA-N 204.031 3.199 30 50 BGEA CC(C)(C)c1ccc([C@@]2(C)O[C@@H]2C#N)cc1 309420829 BYRYLUJBFLUAET-TZMCWYRMSA-N 215.296 3.122 30 50 BGEA O=C1/C(=C\NC2CCCCC2)Nc2ccccc21 106877257 BECHXWJCIHGFSH-GXDHUFHOSA-N 242.322 3.059 30 50 BGEA Cc1ccccc1C(=O)c1ccc(C#N)cc1 34137311 FEWUACDGESCRIY-UHFFFAOYSA-N 221.259 3.098 30 50 BGEA in-vitro C=C1N(Nc2ccccc2)C(=O)O[C@@]1(C)CC 1426341 PDGRHSZQYHDZTG-ZDUSSCGKSA-N 232.283 3.148 30 50 BGEA O=[N+]([O-])c1ccc(NN=C2CCCCC2)cc1 4948337 NCXJXQHKNOCCOV-UHFFFAOYSA-N 233.271 3.327 30 50 BGEA C=CCNCc1ccc(OCC)c(Cl)c1 10475000 LAFNNXGPIXVZTE-UHFFFAOYSA-N 225.719 3.014 30 50 BGEA N#Cc1ccc(Cl)c(Br)c1F 575675646 LJOAKHOTDQYTAL-UHFFFAOYSA-N 234.455 3.113 30 50 BGEA N#Cc1ccc(-c2ccc(F)cc2)nc1Cl 166271 VJYNNRPTVYPCCS-UHFFFAOYSA-N 232.645 3.413 30 50 BGEA in-vitro Cc1ccc2c(c1)c1c(n2C)[C@@H](C#N)CCC1 178926 DVGHERPFFLJUQO-LLVKDONJSA-N 224.307 3.430 30 50 BGEA Cc1ccc(C)c2nc(Cl)c(C#N)cc12 421719 SXMZARFPNUVUNV-UHFFFAOYSA-N 216.671 3.377 30 50 BGEA in-vitro CC(C)(C)[S@@](=O)/N=C/c1ccc(Cl)cc1 114250130 YQAZHKMIBKHOJC-NRUITVPNSA-N 243.759 3.221 30 50 BGEA CC1(C)OB(/C=C/c2ccc(O)cc2)OC1(C)C 170027241 DMDJHWXECJJTCD-MDZDMXLPSA-N 246.115 3.037 30 50 BGEA C/N=C1/c2ccccc2C(=O)[C@H]1c1ccccc1 252488007 IGVZKEITBOSJAI-MBUFOBGISA-N 235.286 3.086 30 50 BGEA C=C(C)c1c(F)c(F)c(F)c(F)c1F 1627127 UEVFYGLYGZACQJ-UHFFFAOYSA-N 208.129 3.415 30 50 BGEA N#Cc1ccccc1OCc1ccccc1 2578540 CHROPCMKBZZQJH-UHFFFAOYSA-N 209.248 3.137 30 50 BGEA in-vitro Fc1cccc(/C=N/N=C/c2cccc(F)c2)c1 3261368 YYMCVDNIIFNDJK-BEQMOXJMSA-N 244.244 3.418 30 50 BGEA in-vitro Cc1ccccc1/N=C(/N)Nc1ccccc1C 5420178 OPNUROKCUBTKLF-UHFFFAOYSA-N 239.322 3.362 30 50 BGEA in-vivo CCN1CCS/C1=C\C=Nc1ccccc1 254704926 ZZNHMAPPYVSADI-IWFLNBKMSA-N 232.352 3.299 30 50 BGEA C=CCC(N)(CC=C)c1ccc(C)cc1 4111514 HEGIGPOCFFGRKR-UHFFFAOYSA-N 201.313 3.301 30 50 BGEA in-vitro C=CC[C@@H](CC(C)=O)OCOCc1ccccc1 43763154 XGTDFHKUAIIVIB-HNNXBMFYSA-N 248.322 3.101 30 50 BGEA CCCCCCCCCCC[C@@H](N)CO 100684750 MEIYPMYTGJCDFT-CYBMUJFWSA-N 215.381 3.227 30 50 BGEA N#Cc1ccc(Oc2cccc(C=O)c2)cc1 39432007 ZNFFJDNCDHKHEJ-UHFFFAOYSA-N 223.231 3.163 30 50 BGEA C=CCn1c(CCC)nc2ccccc21 441141 WUMYCICEVBSRRV-UHFFFAOYSA-N 200.285 3.175 30 50 BGEA C=CCOc1ccc(Cl)cc1-c1ncc[nH]1 67983566 LUJJYAFUWPXTOI-UHFFFAOYSA-N 234.686 3.295 30 50 BGEA CCCCCCCCN1C(=O)CSC1=S 102576234 GAPXBQVOJNAKKG-UHFFFAOYSA-N 245.413 3.207 30 50 BGEA CC(C)(C=O)Sc1ccc(Cl)cc1 167620 ATFFNOSBGHNMPY-UHFFFAOYSA-N 214.717 3.410 30 50 BGEA in-vitro N#Cc1ccccc1[C@@H](C#N)c1ccccc1 3133301 FVQZELZNBUVEQG-HNNXBMFYSA-N 218.259 3.214 30 50 BGEA in-vitro N#CCc1ccc(OCc2ccccc2)cc1 391686 QKEYZRVDFZDOEP-UHFFFAOYSA-N 223.275 3.332 30 50 BGEA N#Cc1cccnc1/C=C/c1ccccc1 67458182 HYTQLOCQZSSYNJ-CMDGGOBGSA-N 206.248 3.124 30 50 BGEA C[C@@]1(c2cc(Cl)ccc2Cl)O[C@@H]1C#N 306684565 CZTSCHPNJOBOMT-ZJUUUORDSA-N 228.078 3.131 30 50 BGEA Cc1nc([C@@H](C#N)c2ccccc2)cs1 3174551 HJFPRMHVHXBKFI-NSHDSACASA-N 214.293 3.107 30 50 BGEA N#Cc1cc2cc(Cl)ccc2nc1Cl 11985188 VITYMWFVJDUOBD-UHFFFAOYSA-N 223.062 3.413 30 50 BGEA in-vitro FC1(F)SC(F)(F)C(F)(F)C1(F)F 114129029 JUTLAXFVSZJSHM-UHFFFAOYSA-N 232.095 3.189 30 50 BGEA CC1(C)OB(C23CC(C(F)F)(C2)C3)OC1(C)C 1857787276 DEDWJHZHVRZNHM-UHFFFAOYSA-N 244.090 3.268 30 50 BGEA N#Cc1ccc(F)cc1-c1cccc2[nH]ncc12 1875386909 DPLYLYYWSQYWCF-UHFFFAOYSA-N 237.237 3.241 30 50 BGEA O=C(C[n+]1cccc2ccccc21)c1ccccc1 1668290 SZWQQHOTONBGOP-UHFFFAOYSA-N 248.305 3.010 30 50 BGEA Cc1cc(=O)oc2cc(N=[N+]=[N-])ccc12 95099911 HEKDKVLIMUWRRZ-UHFFFAOYSA-N 201.185 3.043 30 50 BGEA C[C@@H](C#N)C(O)(c1ccccc1)c1ccccc1 1668598 NVXKKAKSNWELHS-ZDUSSCGKSA-N 237.302 3.082 30 50 BGEA C[C@H](/N=C/c1cccc(O)c1O)c1ccccc1 18106744 OMHHMEACXZKMLK-YAFRSCOQSA-N 241.290 3.278 30 50 BGEA C=C1[C@@H]2C[C@@H]2[C@]2(C)Cc3occ(C)c3[C@H](O)[C@@H]12 33832284 XRDJYSVGPBJZSG-REALQLAVSA-N 230.307 3.006 30 50 BGEA biogenic C=CC(=O)C1=CC[C@@]23C=CC[C@@H]2CC[C@@H]13 71786395 JJIHFIVSPRDNNU-OSMZGAPFSA-N 200.281 3.044 30 50 BGEA N#CCc1c(Cl)cccc1Br 148768333 KEEAMGRPGIYUKK-UHFFFAOYSA-N 230.492 3.169 30 50 BGEA Cc1ccc(/C=C/C(=O)c2ccncc2)cc1 5212469 HKHRLQXSRFTACT-VOTSOKGWSA-N 223.275 3.286 30 50 BGEA N#CCc1ccc(OCc2ccc(F)cc2)cc1 19426331 PXFUNIXWNXRVEJ-UHFFFAOYSA-N 241.265 3.471 30 50 BGEA Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 4828690 QIAWNOODTBZTGG-UHFFFAOYSA-N 237.258 3.086 30 50 BGEA C[C@@H](C#N)c1ccccc1Br 38537019 CAKUAVIXSOZILM-ZETCQYMHSA-N 210.074 3.076 30 50 BGEA in-vitro N#C/C(=N\c1ccccc1)Nc1ccccc1 1681593 CPFBIBCZHAOUDH-UHFFFAOYSA-N 221.263 3.352 30 50 BGEA Nc1ccc(C(=O)/C=C/c2ccsc2)cc1 16971177 MQQJSZNYLAINDW-LZCJLJQNSA-N 229.304 3.226 30 50 BGEA C[C@@H](NCc1cccc(C#N)c1)c1ccccc1 19878134 LGEUQCYHBAFMCB-CYBMUJFWSA-N 236.318 3.409 30 50 BGEA in-vitro Nc1cc(C(F)(F)F)c(F)c(C(F)(F)F)c1 263624337 PLFHNPJWRVDOEE-UHFFFAOYSA-N 247.113 3.446 30 50 BGEA C=CCN(CC=C)C(=O)c1ccc(Cl)s1 16603195 XEQDOVLJQNYOPV-UHFFFAOYSA-N 241.743 3.216 30 50 BGEA O=C(C#Cc1ccccc1)c1ccc(F)cc1 39419673 KGXLYUSMGFJWNJ-UHFFFAOYSA-N 224.234 3.060 30 50 BGEA in-vitro CC(C)c1ccc(/C=C/C(=O)/C=C/N(C)C)cc1 1383320 YGHALIDCPMZEKO-OFJXCKHESA-N 243.350 3.468 30 50 BGEA Fc1cc(Br)ccc1CS 4244670 VOFLFVJFHVJJIU-UHFFFAOYSA-N 221.094 3.018 30 50 BGEA COc1ccc(F)cc1-c1nc(C)ccc1C#N 32603458 GUBULTAPLUTPNK-UHFFFAOYSA-N 242.253 3.076 30 50 BGEA N#Cc1ccc(-c2cc(F)cc3cccnc23)nc1 426583984 IHRZWAZJFAZXFT-UHFFFAOYSA-N 249.248 3.308 30 50 BGEA CC(C)(C)C(=O)/C=C/c1ccccc1O 289307 UILHBSJVUCZZMQ-CMDGGOBGSA-N 204.269 3.021 30 50 BGEA C=CCN(CC=C)CCCOc1ccccc1 2839776 UNYMNOQQRDCXCK-UHFFFAOYSA-N 231.339 3.130 30 50 BGEA Cc1ccc(C)n1-c1ccc(CC(C#N)C#N)cc1 169839 ZDIJYPVWFJHUBA-UHFFFAOYSA-N 249.317 3.300 30 50 BGEA COc1ccc(NC(=O)ON=C2CCCC2)cc1 289206 XIJIEPUMKJLTKL-UHFFFAOYSA-N 248.282 3.174 30 50 BGEA Cc1ccc(/C=N/Nc2ccccc2)cc1 12447494 HZNMBMPLMOABLX-RVDMUPIBSA-N 210.280 3.441 30 50 BGEA COc1ccc(/C=N/C(=O)OC(C)(C)C)cc1 34409385 OLARTLQIVCKFTH-NTEUORMPSA-N 235.283 3.049 30 50 BGEA N#Cc1ccc(-c2cc3ccccc3o2)cn1 67885289 XFBFLLZJRYXJAV-UHFFFAOYSA-N 220.231 3.366 30 50 BGEA CCCCCCCC(=S)N1CCOCC1 102993886 FULYXLBDNDKYCO-UHFFFAOYSA-N 229.389 3.007 30 50 BGEA [N-]=[N+]=Nc1ccc(I)cc1 33604912 FJOKWWVZXVTOIR-UHFFFAOYSA-N 245.023 3.233 30 50 BGEA C[C@H]1c2ccccc2CCN1c1ccnc(C#N)c1 425231554 NGIONCKRHMIAMT-LBPRGKRZSA-N 249.317 3.077 30 50 BGEA Nc1ccc(C(=O)/C=C/c2ccccc2)cc1 4353000 VEKSFLTVXIEEAX-IZZDOVSWSA-N 223.275 3.165 30 50 BGEA in-vitro Cc1c(C#N)ccc(Br)c1Cl 67802810 BRRXSWUWAHOPBN-UHFFFAOYSA-N 230.492 3.283 30 50 BGEA CC(C)[Si](C#CCO)(C(C)C)C(C)C 195756175 PXKJNJIXUXXARU-UHFFFAOYSA-N 212.409 3.200 30 50 BGEA C[C@H]1c2ccccc2CCN1c1ccc(C#N)nc1 425235094 OPIUGCLNUCJFKL-LBPRGKRZSA-N 249.317 3.077 30 50 BGEA C=CCC[C@@H](C)NCc1nc2ccccc2o1 952877335 NUWHNUMCBCXTIX-LLVKDONJSA-N 230.311 3.272 30 50 BGEA C=CCc1ccccc1OCCNCCC(C)C 53588976 XSNDKQBHNGGRID-UHFFFAOYSA-N 247.382 3.430 30 50 BGEA C#Cc1cc(C(F)(F)F)ccc1Br 585672419 CSXYNSIBPRGWAW-UHFFFAOYSA-N 249.029 3.449 30 50 BGEA CC/C(=N\O)C12CC3CC(CC(C3)C1)C2 17242220 LLFZJPRDIIBXIQ-WYMLVPIESA-N 207.317 3.443 30 50 BGEA in-vitro N#Cc1ccc(SCc2ccccc2)nc1 19846572 MLXIZNARYTTWPM-UHFFFAOYSA-N 226.304 3.246 30 50 BGEA N#Cc1ccc(-c2ccc(F)cc2Cl)cn1 67947803 UOBXUQKGUWKKQV-UHFFFAOYSA-N 232.645 3.413 30 50 BGEA C=C1[C@@H](NC2=CC(=O)CCC2)C[C@H]2C[C@H]1C2(C)C 252694710 OSJALPPAPSBYJJ-DFBGVHRSSA-N 245.366 3.204 30 50 BGEA biogenic C=C/C(O)=N/C(C)(C)c1cc(C(F)(F)F)on1 328597443 HGQAETKADVIGGO-UHFFFAOYSA-N 248.204 3.071 30 50 BGEA N#Cc1cccc(NC(=O)CCC2CCCC2)c1 618437 SSUSYALOZVUREO-UHFFFAOYSA-N 242.322 3.467 30 50 BGEA C=CCNCCOc1cc(C)ccc1C(C)(C)C 3001955 JJDNNHGFYMLEEV-UHFFFAOYSA-N 247.382 3.447 30 50 BGEA CCCCCc1ccc2c(N)c(C#N)sc2n1 23634711 AFWKFBCRJLRMED-UHFFFAOYSA-N 245.351 3.483 30 50 BGEA CC1(C)CCc2nc(Cl)c(C#N)cc2C1 4100689 AEEXZGTUHXELHF-UHFFFAOYSA-N 220.703 3.122 30 50 BGEA C[C@]12C=CC3=CC(=O)CC[C@@H]3[C@@H]1CC=CC2 216298855 FXOUFKCTHRODGA-KKUMJFAQSA-N 214.308 3.434 30 50 BGEA N#CC1(c2ccc(Br)cc2F)CC1 75934315 FLVJVGSVWLFBRZ-UHFFFAOYSA-N 240.075 3.143 30 50 BGEA in-vitro N#Cc1nc(C2CCCCC2)oc1NCC1CC1 1857799432 BUGBHYWQJGFEAU-UHFFFAOYSA-N 245.326 3.416 30 50 BGEA C/N=C1/c2ccccc2C(=O)[C@@H]1c1ccccc1 252488008 IGVZKEITBOSJAI-XEVXXXDWSA-N 235.286 3.086 30 50 BGEA C=C1C[C@@]2(O)O[C@@]3(CC2=C(C)C)[C@@H](C)CC[C@H]13 15160859 DEBDFZGNZTYPMF-MYZSUADSSA-N 234.339 3.177 30 50 BGEA endogenous,in-man CC(C)(O)c1cncc(C#CCC2CCCC2)c1 1506412054 MNZDOAZAYZKILT-UHFFFAOYSA-N 243.350 3.241 30 50 BGEA O=C1C=CCC(Nc2cnc3ccccc3c2)=C1 101035853 WZNYHZSFASKEFU-UHFFFAOYSA-N 236.274 3.060 30 50 BGEA N#Cc1cc(Cl)c(Cl)c(OC(F)F)c1 263624039 MXJLFTRUFZBFDQ-UHFFFAOYSA-N 238.020 3.466 30 50 BGEA N#Cc1c(N)oc(-c2ccco2)c1-c1ccco1 108948 RDQSOEAGWZLHBE-UHFFFAOYSA-N 240.218 3.253 30 50 BGEA in-vitro CC(C)c1ccc(/C=C/C(=O)CCC(=O)O)cc1 1382981 OPVLRABYTJJWGV-VMPITWQZSA-N 246.306 3.257 30 50 BGEA C=C1CCC[C@]2(C)C[C@H]3OC(=O)C(C)=C3C[C@H]12 33833545 OQYBLUDOOFOBPO-UMVBOHGHSA-N 232.323 3.385 30 50 BGEA biogenic,in-vitro COc1cccc(Cl)c1-c1ccc(C#N)cn1 67642711 BJFCCJZAHDPMDM-UHFFFAOYSA-N 244.681 3.282 30 50 BGEA O=[N+]([O-])c1ccccc1NN=C1CCCCC1 4119175 VIEQOGVETDKDEB-UHFFFAOYSA-N 233.271 3.327 30 50 BGEA N#CCc1ccc(C(=O)c2cccs2)s1 1400973 ACXFNDXOHKVXSS-UHFFFAOYSA-N 233.317 3.107 30 50 BGEA ON=C1[C@H]2CCC[C@H]1Cc1ccccc1C2 100164629 HWNVFTFKBBIQOO-STQMWFEESA-N 215.296 3.032 30 50 BGEA N#Cc1cccc(C(F)(F)F)c1OC(F)F 263624121 NPHVQZIIGLIZBF-UHFFFAOYSA-N 237.127 3.178 30 50 BGEA C=C[C@@H](C)C[C@@H](C)C/C=C/C(=O)OCC 71786762 OALONPCIDGTRJU-JBSRMNHVSA-N 210.317 3.344 30 50 BGEA C#CCCCCN[C@@H](C)c1ccccc1F 130764489 MSJLDKGYZQJLAY-LBPRGKRZSA-N 219.303 3.280 30 50 BGEA C=CCOCc1ccccc1Br 2548247 WBVJSBVYPDCMEW-UHFFFAOYSA-N 227.101 3.152 30 50 BGEA Cc1ccc(-c2csc(CC#N)n2)cc1 113907 YMRPDXAXRLGWDN-UHFFFAOYSA-N 214.293 3.185 30 50 BGEA in-vitro N#Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 163259 SRFRRLAMARNHMK-UHFFFAOYSA-N 248.625 3.380 30 50 BGEA N#CCc1ccccc1OCc1ccccc1 2565989 WAQPXLOPRNLIGZ-UHFFFAOYSA-N 223.275 3.332 30 50 BGEA in-vitro C[C@@H]1C[C@](C#N)(Cc2ccccc2)[C@@H](C)CN1C 16622279 ZLORDNQSUUOOKL-SQWLQELKSA-N 242.366 3.099 30 50 BGEA CCCN/C(=N/c1ccccc1)SCC 96026552 PQGNBLHWVZAPEQ-UHFFFAOYSA-N 222.357 3.427 30 50 BGEA CSc1cccc(NCc2ccc(C#N)o2)c1 135156341 XJLSOQSDBIMIQW-UHFFFAOYSA-N 244.319 3.485 30 50 BGEA COc1ccc2c(c1)CC[C@@H]1CCC(=O)C=C21 196249529 PLWAOBDSGAUOMX-SNVBAGLBSA-N 228.291 3.004 30 50 BGEA N#Cc1c(C(F)(F)F)cc(Cl)nc1Cl 163194 WRXXBTBGBXYHSG-UHFFFAOYSA-N 240.999 3.279 30 50 BGEA in-vitro CC[C@@H](C)/N=C(\S)Nc1ccccc1 17820077 WWIODCQAOPIKHL-SECBINFHSA-N 208.330 3.183 30 50 BGEA N#CCC[C@]12CC=CC[C@@]1(C(=O)O)CCCC2 71785951 SZQJVFGIMBUNHF-KGLIPLIRSA-N 233.311 3.272 30 50 BGEA C=C(C)C(=O)OC12CC3CC(CC(C3)C1)C2 14593005 MZVABYGYVXBZDP-UHFFFAOYSA-N 220.312 3.075 30 50 BGEA in-vitro C[Si](C)(C)C#Cc1cc2ccccc2cn1 169746786 DCTOSPSCGVALNI-UHFFFAOYSA-N 225.367 3.464 30 50 BGEA C=C(C)CCS(=O)(=O)c1ccc(C)c(C)c1 276898992 LJZMJPIQGRFGTD-UHFFFAOYSA-N 238.352 3.043 30 50 BGEA O=C(/C=C/c1cccnc1)c1cccs1 3929779 RDSJXDMYAAHNQQ-AATRIKPKSA-N 215.277 3.039 30 50 BGEA C[C@H](/N=C/N(C)C)c1cccc2ccccc12 5735459 YCIDUPCCADORTH-JASJWYONSA-N 226.323 3.491 30 50 BGEA C=CCNc1oc(-c2cccc(C)c2)nc1C#N 2373868 NFAAZJFIXGXFKE-UHFFFAOYSA-N 239.278 3.120 30 50 BGEA C=C1CC[C@]23CCC[C@@]12C(=O)CC3(C)C 101037712 SGUDNJOABKFNNJ-KBPBESRZSA-N 204.313 3.492 30 50 BGEA C=CCNC(=O)/C=C/c1ccc(C(C)C)cc1 1808059 NCDJDAKDXGCACO-JXMROGBWSA-N 229.323 3.125 30 50 BGEA CSC1=N/C(=C\c2ccccc2)C(=O)S1 4755161 QDIDVJWEDQMFGU-CLFYSBASSA-N 235.333 3.020 30 50 BGEA Oc1ccc(/C=N/Cc2ccccc2)cc1 100314184 HTASYGMAHMVZES-RVDMUPIBSA-N 211.264 3.011 30 50 BGEA CC[C@@H]1CC/C(=N\Nc2cccc(C(=O)O)c2)C1 222154904 BUXJKZAOFAPGTG-OIRDJALBSA-N 246.310 3.363 30 50 BGEA Fc1ccc(/C=N/N=C/c2ccc(F)cc2)cc1 1838255 KJTBHQBRLYYAGY-BEQMOXJMSA-N 244.244 3.418 30 50 BGEA CC#C/C(O)=N/Cc1ccccc1N(C)C(C)C 330031921 FYQNWNHYALLZDN-UHFFFAOYSA-N 244.338 3.011 30 50 BGEA C=C(C)[C@H]1CC=C(C)[C@H](OC(=O)CC)C1 56529 DFVXNZOMAOGTBL-NWDGAFQWSA-N 208.301 3.241 30 50 BGEA endogenous,in-man O=C(C#Cc1ccccc1)/C=C/c1ccccc1 1737516 MDUZBUIGEQDGQH-ACCUITESSA-N 232.282 3.321 30 50 BGEA O=C[C@@]12[C@H]3c4ccccc4[C@@H]1[C@@H]2c1ccccc13 101186996 BGPKEBKJLXTIIX-WNKDZCFJSA-N 232.282 3.212 30 50 BGEA C=CCNC(=S)Nc1cccc(Cl)c1C 6483635 RAPZZSFSLBAJKC-UHFFFAOYSA-N 240.759 3.121 30 50 BGEA CC(=O)/C=C1/N(C)c2ccc(C)cc2C1(C)C 18062171 FRBPMCJBOQULJX-NTEUORMPSA-N 229.323 3.195 30 50 BGEA N#Cc1ccccc1-c1cc(F)cc(C(=O)O)c1 74937788 YODBSTTVOCZOPQ-UHFFFAOYSA-N 241.221 3.063 30 50 BGEA in-vitro C=C[C@@H](C)NC(=O)c1sc(C)cc1Cl 1875293575 VNDWVVXPPGANNW-ZCFIWIBFSA-N 229.732 3.014 30 50 BGEA CC(=O)C(=Cc1c(C)oc2ccccc12)C(C)=O 1515454 HHKXSTXGORHXKK-UHFFFAOYSA-N 242.274 3.303 30 50 BGEA C=CCNCc1cc(Cl)ccc1OCC 4856673 WUCWQKLFAZSRKC-UHFFFAOYSA-N 225.719 3.014 30 50 BGEA Fc1ccc(OCCCCCS)cc1 16310857 ZDRMJMCMBDSJPD-UHFFFAOYSA-N 214.305 3.305 30 50 BGEA CCOc1ccccc1-c1cc(C#N)ccn1 67935231 XIPQSSZPCMURMN-UHFFFAOYSA-N 224.263 3.019 30 50 BGEA N#CC1(c2ccc(F)c([N+](=O)[O-])c2)CCCCC1 261494484 YSCXKSXYLPCODR-UHFFFAOYSA-N 248.257 3.459 30 50 BGEA COc1ccc(C2(C#N)CCCC2)cc1 394696 DOZAMVFROCVJLO-UHFFFAOYSA-N 201.269 3.031 30 50 BGEA in-vitro N#CCc1ccccc1SC(F)(F)F 2560241 IVQSJULZJSTFJM-UHFFFAOYSA-N 217.215 3.365 30 50 BGEA in-vitro N#C[C@H](CC(=O)O)c1c(Cl)cccc1Cl 95082361 IRWHUIXGTIEHQD-LURJTMIESA-N 244.077 3.075 30 50 BGEA N#Cc1cccc2c(N)c(Br)ccc12 96028536 LAOAPHCPPMKGTI-UHFFFAOYSA-N 247.095 3.056 30 50 BGEA Nc1ccc(Cl)cc1C(=NO)c1ccccc1 254508210 GCAVNCINXJNLED-UHFFFAOYSA-N 246.697 3.149 30 50 BGEA O=C(/C=C/c1cccs1)c1ccncc1 3997279 FVVCKXHJQKQBMG-ONEGZZNKSA-N 215.277 3.039 30 50 BGEA C=C1C[C@@H](O)C(C)(C)CC2=C(C)CC[C@@H]12 6395495 USUJOTMVQQCVSM-WCQYABFASA-N 206.329 3.450 30 50 BGEA O/C(=N/C1CCCCC1)NCc1ccccc1 17877861 OOAFBZIRZNUNQV-UHFFFAOYSA-N 232.327 3.023 30 50 BGEA C=C[C@@]1(C(F)(F)F)O[C@@H]1c1ccccc1 34278994 WCHCVYVBILPZQC-NXEZZACHSA-N 214.186 3.245 30 50 BGEA in-vitro C[C@@H]1CC2=C(C1=O)[C@@H]1CC[C@H]3CC=C[C@]31C2 71786400 AJQWGBSZOPXWCS-NYMYIZQJSA-N 214.308 3.268 30 50 BGEA CC1(C)OB(/C=C\c2ccccc2)OC1(C)C 169877355 ARAINKADEARZLZ-KHPPLWFESA-N 230.116 3.331 30 50 BGEA Cc1sc(N)c(C#N)c1-c1ccc(F)cc1 2584873 WCNNDHIDZAOFKG-UHFFFAOYSA-N 232.283 3.317 30 50 BGEA N#Cc1ccc(-c2ccc(C(=O)O)cc2)cc1F 71787937 SVQNQAOEJZCAKW-UHFFFAOYSA-N 241.221 3.063 30 50 BGEA in-vitro Oc1ccccc1/N=C/C=N/c1ccccc1O 100048064 FZKAPSZEPRQQGK-KAVGSWPWSA-N 240.262 3.203 30 50 BGEA CS/C(N)=N\c1ccc(Cl)cc1Cl 196383664 SUDVSUVETKVIPR-UHFFFAOYSA-N 235.139 3.303 30 50 BGEA C[C@H](c1ccccc1)N1CCC(=O)C2=C1CCC2 208233 MWIRMWIAURTTNX-GFCCVEGCSA-N 241.334 3.460 30 50 BGEA N#Cc1ccc2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c1 55270781 FZGSLBKCDAEQNE-MVWJERBFSA-N 235.290 3.114 30 50 BGEA Fc1ccc(C(F)(F)F)cc1CS 1534067591 ZLXOHRBMDMJYRK-UHFFFAOYSA-N 210.195 3.274 30 50 BGEA C=C1C(=O)O[C@@H]2C[C@@]3(C)CCCC(=C)[C@@H]3C[C@H]12 3882003 CVUANYCQTOGILD-QVHKTLOISA-N 232.323 3.241 30 50 BGEA biogenic,in-vitro C=C(C)C(=O)O[C@@H]1C[C@@H](C)CC(C)(C)C1 4976239 DABQKEQFLJIRHU-GHMZBOCLSA-N 210.317 3.321 30 50 BGEA C=C1[C@H]2[C@@H](O)c3c(C)coc3C[C@@]2(C)[C@H]2C[C@@H]12 33832283 XRDJYSVGPBJZSG-PJDGIUQASA-N 230.307 3.006 30 50 BGEA biogenic C=C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 95495865 ZYNYREKPRWPYDC-PHIMTYICSA-N 223.316 3.105 30 50 BGEA in-vitro Cc1coc(SCc2ccc(F)c(C#N)c2)n1 188383320 KRVSAJJUUUGAHP-UHFFFAOYSA-N 248.282 3.286 30 50 BGEA CC(C)SCCn1nc(C#N)c2ccccc21 240444204 FWOBOJGZSVYSEK-UHFFFAOYSA-N 245.351 3.050 30 50 BGEA N#Cc1ccc(OCc2cccc(F)c2)cc1 2877049 ZAAMMXIRNCLZKU-UHFFFAOYSA-N 227.238 3.276 30 50 BGEA C(=N/c1nc2ccccc2[nH]1)\c1cccs1 17861436 LBYHYFUUKWJWTM-MDWZMJQESA-N 227.292 3.375 30 50 BGEA C=CCOc1nccc(Br)c1Cl 261493678 GXVPUAQJGYXQCC-UHFFFAOYSA-N 248.507 3.062 30 50 BGEA N#Cc1cccc(C(F)(F)F)c1Cl 2528372 GANPUEIPQFDYQA-UHFFFAOYSA-N 205.566 3.230 30 50 BGEA N#Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1 2819980 JBBCZYHRHADVJB-UHFFFAOYSA-N 239.230 3.049 30 50 BGEA C=CCOc1ccc(C(=O)OCC)cc1CC=C 71774095 FBXRHDAIWOBDQV-UHFFFAOYSA-N 246.306 3.157 30 50 BGEA Cc1c(CC=O)cccc1-c1ccccc1 116410874 LCJJCTDJGALULH-UHFFFAOYSA-N 210.276 3.403 30 50 BGEA C=C/C(O)=N/[C@H](c1ccnc(Cl)c1)C1CC1 328597286 GORSVOZKTUIXTN-LBPRGKRZSA-N 236.702 3.329 30 50 BGEA C=CCNCCCCOc1cccc(OCC)c1 3001965 RESGZMLGQISMDN-UHFFFAOYSA-N 249.354 3.020 30 50 BGEA Cc1ccccc1COc1ccc(C#N)cc1 4829124 OJVQYBIHEFZZEL-UHFFFAOYSA-N 223.275 3.446 30 50 BGEA in-vitro F[C@H]1C(F)(F)C(F)(F)C(F)(F)[C@]1(F)Cl 140145382 ZIMKXLGBITZYGO-NCGGTJAESA-N 248.500 3.149 30 50 BGEA CC1(C)OB(CC(F)=C(F)F)OC1(C)C 1857786079 QBHBRERINGSATB-UHFFFAOYSA-N 222.015 3.156 30 50 BGEA CCCCCCCCCCCCNC(=N)N 1666747 HILAYQUKKYWPJW-UHFFFAOYSA-N 227.396 3.390 30 50 BGEA in-vitro Cc1ccc(O)c(N/C=C2/CCCCC2=O)c1 18158364 ZORKTWDGNLZIGF-LUAWRHEFSA-N 231.295 3.140 30 50 BGEA COc1ccc(C2(C#N)CCCCC2)cc1 155681 YQXUSXSQFVWPRQ-UHFFFAOYSA-N 215.296 3.421 30 50 BGEA in-vitro N#Cc1ccc(-c2ccccc2)nc1Cl 166269 NROZOMIVAHCNED-UHFFFAOYSA-N 214.655 3.274 30 50 BGEA in-vitro COc1ccc(C)cc1/N=C/c1ccc(O)cc1 2143578 NLGZZLABFXKTOB-MHWRWJLKSA-N 241.290 3.460 30 50 BGEA CCOC(C[C@H](C#N)c1ccccc1)OCC 44125548 HWTARGPLTRBZOJ-CYBMUJFWSA-N 233.311 3.083 30 50 BGEA C=C(C)c1nc(C)c(Br)s1 306920521 MKTQLOHLMJHKMW-UHFFFAOYSA-N 218.119 3.247 30 50 BGEA O=[N+]([O-])c1ccc(/C=N/c2ccccc2O)cc1 18068641 SCALUNNCQAUIKS-NTEUORMPSA-N 242.234 3.051 30 50 BGEA N#Cc1ccc(-c2ccc(C(=O)O)c(F)c2)cc1 65349664 INJWSOQZWSRXQV-UHFFFAOYSA-N 241.221 3.063 30 50 BGEA in-vitro N#Cc1cc(F)c(Br)cc1Cl 35635684 QRVZOLCBNJYMJK-UHFFFAOYSA-N 234.455 3.113 30 50 BGEA N#Cc1cccc(-c2ccc(C(=O)O)c(F)c2)c1 38068154 FDRZWVHRXPIULS-UHFFFAOYSA-N 241.221 3.063 30 50 BGEA Cc1cc(C(F)(F)F)cc(CC#N)c1F 1857783728 WMRTZVHYWRXDQR-UHFFFAOYSA-N 217.165 3.219 30 50 BGEA Cc1cccc(/C=C\C(=O)c2cccnc2)c1 4566889 RXWDMCSVKGBFDD-FPLPWBNLSA-N 223.275 3.286 30 50 BGEA CC1(C)OB(C=C2CCCC2)OC1(C)C 196470555 HMMQKSRJXWCQNW-UHFFFAOYSA-N 208.110 3.118 30 50 BGEA COC(=O)c1cccc(-c2ccccc2C#N)c1 1257423 YDXNZJLIYUWQBJ-UHFFFAOYSA-N 237.258 3.012 30 50 BGEA CN(C)CC[C@@H](C#N)c1cccc2ccccc12 31622825 XWDJWSFNFKEVBR-AWEZNQCLSA-N 238.334 3.399 30 50 BGEA CCCCCCCCCC(=O)N[C@@H](CC)CO 100720112 YHFRYDQYXASQGT-ZDUSSCGKSA-N 243.391 3.014 30 50 BGEA CC/C(C)=C/C(O)=N/[C@H]1CCOC(C)(C)C1 328596942 BSAOVNWCLYGRRQ-UQSGXBNBSA-N 225.332 3.257 30 50 BGEA Cc1ccc(Cl)cc1Oc1cc(C#N)ncn1 334249386 VMBYJUXPYLFKHV-UHFFFAOYSA-N 245.669 3.102 30 50 BGEA COC(=O)c1ccc(-c2cccc(C#N)c2)cc1 1258734 KPNDONDAUMRIOK-UHFFFAOYSA-N 237.258 3.012 30 50 BGEA in-vitro CCCOc1ccc(Br)cc1C#N 5952135 JSDHBNHQZRXINT-UHFFFAOYSA-N 240.100 3.110 30 50 BGEA in-vitro CC/N=C(/S)Nc1cccc(Cl)c1C 8670375 OHKYNBLWIZZFEH-UHFFFAOYSA-N 228.748 3.366 30 50 BGEA C=CCN(CC=C)CCOc1ccc(C)c(C)c1 20272619 AXNRHMYQFHMGLU-UHFFFAOYSA-N 245.366 3.356 30 50 BGEA C=CCNC(=O)Nc1c(Cl)cccc1Cl 2170975 SEDYWGOYOTURRB-UHFFFAOYSA-N 245.109 3.301 30 50 BGEA CN(c1ccccc1)[C@@H](C#N)c1ccccc1 5328825 PSWDTPFUMNREGL-HNNXBMFYSA-N 222.291 3.388 30 50 BGEA CC1=NOC(=O)/C1=C\c1cccc2ccccc12 17197818 JTAYVQUQWUDFTE-ZROIWOOFSA-N 237.258 3.156 30 50 BGEA COCCC[C@@H](C#N)c1ccc(Cl)cc1 225809543 HGRDTAKFSNMXMY-NSHDSACASA-N 223.703 3.374 30 50 BGEA in-vitro CC(C)(C)OC(=O)n1cc(C#N)c2ccccc21 238104832 NAKDPGPBPQNLIA-UHFFFAOYSA-N 242.278 3.296 30 50 BGEA C=C(C)C(=O)O[C@@H]1C[C@H](C)CC(C)(C)C1 56996 DABQKEQFLJIRHU-WDEREUQCSA-N 210.317 3.321 30 50 BGEA CC(C)SCCN[C@@H](C)c1ccc(C#N)cc1 336714652 SCSPAAHQNDPEHR-LBPRGKRZSA-N 248.395 3.350 30 50 BGEA CCN(CC)C(C)(C)C#Cc1ccccc1 3160602 MRZPSRPKQURMKO-UHFFFAOYSA-N 215.340 3.159 30 50 BGEA N#CCc1cc(Br)c(F)cc1Cl 91252181 FCPQGCLAYLWCBK-UHFFFAOYSA-N 248.482 3.308 30 50 BGEA in-vitro C[Si](C)(C)C#Cc1ccc2ncccc2c1 169746781 HPUIGADZNDDKMJ-UHFFFAOYSA-N 225.367 3.464 30 50 BGEA CN1CCC([C@H](C#N)c2ccc(Cl)cc2)CC1 169795031 GZBQLCAJEXWOOC-CQSZACIVSA-N 248.757 3.289 30 50 BGEA COc1ccc(/C=N/c2ccc(O)cc2)cc1 96900783 YONXPYGTYHMKDH-XNTDXEJSSA-N 227.263 3.151 30 50 BGEA biogenic N#Cc1c(F)cccc1[C@H](C#N)c1cccs1 167590 NXLQXFASJWXVQZ-NSHDSACASA-N 242.278 3.414 30 50 BGEA COc1cccc(-c2cccc(C#N)c2)c1OC 725264267 UGXZYCGAGIASTA-UHFFFAOYSA-N 239.274 3.242 30 50 BGEA C=C(Cl)CSc1nc(C)c(C(C)=O)s1 71774031 HZXYBGZTEAPJLI-UHFFFAOYSA-N 247.772 3.499 30 50 BGEA CCSc1nnc(/N=C(\O)C2CCC2)s1 3517117 LEDZQWSFVFOCKW-UHFFFAOYSA-N 243.357 3.038 30 50 BGEA ClC1(Cl)[C@]23CC=CC[C@]12C[C@H]1O[C@H]1C3 16137591 ZNMPIKYJPNQSHC-YNFQOJQRSA-N 231.122 3.058 30 50 BGEA C=CCC[C@@H](C)CN1CCc2ncsc2C1 1615549957 ORPXZFBHEDCEBN-LLVKDONJSA-N 236.384 3.104 30 50 BGEA CC1(C)OB(CCc2ccccc2)OC1(C)C 169748115 LVLQNRWCBBIVHR-UHFFFAOYSA-N 232.132 3.321 30 50 BGEA CC(C)O[C@H](CCC#N)c1ccccc1 2043902 KBAUUAZQHABMLG-CYBMUJFWSA-N 203.285 3.456 30 50 BGEA in-vitro C=C1CC[C@@H]2[C@H]([C@H]3[C@H]1CC[C@]3(C)O)C2(C)C 5765855 FRMCCTDTYSRUBE-BGPZULBFSA-N 220.356 3.386 30 50 BGEA biogenic,in-vitro CCCC/N=C(/S)Nc1ccccc1F 8687406 GAJODZYAUPKTND-UHFFFAOYSA-N 226.320 3.324 30 50 BGEA C/C(=N\O)c1ccc2c(c1)Cc1ccccc1-2 17421968 APZPUDOAVIELNU-MHWRWJLKSA-N 223.275 3.456 30 50 BGEA CC[Si](C#Cc1ccccn1)(CC)CC 169804569 DADXFODAYKUYPJ-UHFFFAOYSA-N 217.388 3.481 30 50 BGEA CC(/C=C/c1c[nH]c2ccccc12)=N/O 106354047 YLDKYWIEALKZRK-XQZMZFSGSA-N 200.241 3.031 30 50 BGEA O=[N+]([O-])c1cccc(N/N=C/c2ccccc2)c1 4293731 YEJYJCWVUHTENO-GXDHUFHOSA-N 241.250 3.041 30 50 BGEA C#CC(CC)(CC)NC(=O)Nc1ccccc1F 6728787 HUXRRUNOEGUDPB-UHFFFAOYSA-N 248.301 3.139 30 50 BGEA CC(C)(C)c1[nH]c2ccccc2c1/C=N/O 13126407 USGUHEGZFBASEU-RIYZIHGNSA-N 216.284 3.274 30 50 BGEA C=CCN(CC=C)C(=O)c1cc(C)cc(C)c1 16603023 LWZXSGISZDJAAV-UHFFFAOYSA-N 229.323 3.118 30 50 BGEA Cc1ccc(N/C=C2/CCCCC2=O)c(O)c1 18192474 CZTALJSKKKQOSU-LUAWRHEFSA-N 231.295 3.140 30 50 BGEA CC(C)CB1O[C@@H]2C[C@H]3C[C@@H](C3(C)C)[C@]2(C)O1 196450023 QGWQMLAZUPRXGK-CZXHOFHRSA-N 236.164 3.371 30 50 BGEA N#CCc1cccc(-c2cccc(Cl)c2)n1 259303140 VIVHMVLZYFFVSM-UHFFFAOYSA-N 228.682 3.468 30 50 BGEA in-vitro N#Cc1ccc(C(F)(F)F)cc1OC(F)F 263624832 UOLAKTYJIBDUSK-UHFFFAOYSA-N 237.127 3.178 30 50 BGEA COc1ccc(-c2ccsc2C#N)cc1 725246413 ZWLQNFMPIKSZQK-UHFFFAOYSA-N 215.277 3.295 30 50 BGEA C=CC[C@H](NCc1ccccc1)c1ccncc1 274821 JCZZZRJJTYOSNW-INIZCTEOSA-N 238.334 3.489 30 50 BGEA C=CCOc1ccc(NC(=O)C(C)(C)C)cc1 8104470 UNHNIYAFTBCTNU-UHFFFAOYSA-N 233.311 3.236 30 50 BGEA C[C@@H](NCCCCCF)c1cccc(C#N)c1 253416364 KKEDDHJSBBDFCP-GFCCVEGCSA-N 234.318 3.349 30 50 BGEA COc1ccc(N=Cc2ccc(C#N)cc2)cc1 254628431 ASVSTYQWCPHCFY-UHFFFAOYSA-N 236.274 3.317 30 50 BGEA N#CCN=C(c1ccccc1)c1ccccc1 2166946 VRLJFRODHVSTIK-UHFFFAOYSA-N 220.275 3.048 30 50 BGEA CN(/N=C/c1ccccc1)c1ccccc1 4798789 WUSDCMLIVSVEIR-NTCAYCPXSA-N 210.280 3.157 30 50 BGEA COC(=O)c1cccc(-c2ccc(C#N)cc2)c1 8205779 NSCAOHCIPFFOIV-UHFFFAOYSA-N 237.258 3.012 30 50 BGEA in-vitro C=CCSc1ncccc1Br 95099993 STJXIOJZUKIOGV-UHFFFAOYSA-N 230.130 3.122 30 50 BGEA CCS[C@H]1CC[C@@H](Nc2ccc(C#N)nc2)C1 170654180 QOMANHGANSGLNQ-MFKMUULPSA-N 247.367 3.039 30 50 BGEA O=[N+]([O-])c1ccccc1C=Nc1ccccc1 254822293 BBAZSPGQKPGVIJ-UHFFFAOYSA-N 226.235 3.345 30 50 BGEA C=CCOc1c(Cl)cc(C=O)cc1OCC 2768000 MKZAWABXOVNIGR-UHFFFAOYSA-N 240.686 3.116 30 50 BGEA Cc1ccc(/C=C/C(=O)c2ccco2)cc1 5362908 PJMCNUJXJJAQBZ-CMDGGOBGSA-N 212.248 3.484 30 50 BGEA COc1ccccc1Oc1ccc(C#N)cc1F 36886859 NZFRIAJXZSXISB-UHFFFAOYSA-N 243.237 3.498 30 50 BGEA Cc1nc(-c2cccc(C#N)c2)cc(C(C)C)n1 67790224 LFMKAWJQBHTEEJ-UHFFFAOYSA-N 237.306 3.447 30 50 BGEA Cc1cc(CC#N)cc(Cl)c1Cl 263624740 TVIJRBFTNJPRMN-UHFFFAOYSA-N 200.068 3.368 30 50 BGEA CC(C)(O)C(=O)/C=C/c1cccc2ccccc12 208965 WUTWRIGLGRQGBU-ZHACJKMWSA-N 240.302 3.193 30 50 BGEA C=CCc1cc(C(=O)OCC)cc(CC=C)c1O 2020838 JOUJVFQMMSBQQO-UHFFFAOYSA-N 246.306 3.026 30 50 BGEA Fc1cc(F)c(F)c(C(F)(F)F)c1F 2539481 ZVPAJILXQHMKMT-UHFFFAOYSA-N 218.071 3.262 30 50 BGEA C=C[C@H](Sc1ccccc1)C(C)(C)O 39643723 PKFBPRCQXDGCNI-NSHDSACASA-N 208.326 3.104 30 50 BGEA C=C(C)CNc1ncnc2cc(Cl)ccc12 153540946 JFFXSDOHOAGMRP-UHFFFAOYSA-N 233.702 3.271 30 50 BGEA N#Cc1ccc2cccc(Br)c2c1 211105047 JTHIWGUJFVXZOT-UHFFFAOYSA-N 232.080 3.474 30 50 BGEA C[C@@H](NC(=O)OC(C)(C)C)c1cccc(C#N)c1 261206977 FYNADWYYWOQWAG-SNVBAGLBSA-N 246.310 3.144 30 50 BGEA CC(C)(C#N)OC(=O)Nc1cccc(Cl)c1 280662 DDZSCNYJDLYYEG-UHFFFAOYSA-N 238.674 3.191 30 50 BGEA CC(C)=CCC[C@H](C)[C@@H]1CC(=O)C(C)=C[C@@H]1O 1772820436 YDCNFZXDPQSPKG-WHOFXGATSA-N 236.355 3.265 30 50 BGEA CN(C)c1ccc(/C=C/C(=O)C(C)(C)C)cc1 1624837 CZRAFLAJGHUBQB-DHZHZOJOSA-N 231.339 3.381 30 50 BGEA C=CC[C@]1(C)C(C)=NN=C1c1ccccc1 45071268 DGSHHPXJNKJFMX-CQSZACIVSA-N 212.296 3.448 30 50 BGEA COc1cc(C)c(/C=C/C(C)=O)c(C)c1C 235432 NMRRLIHKRCVLLQ-VOTSOKGWSA-N 218.296 3.223 30 50 BGEA biogenic,in-vitro C1CC1C(=NN=C(C1CC1)C1CC1)C1CC1 276356 UXXLOISWPSNDGR-UHFFFAOYSA-N 216.328 3.423 30 50 BGEA N#Cc1cc(Cl)c(Br)cc1F 67802822 MWETUEUSVCAKPX-UHFFFAOYSA-N 234.455 3.113 30 50 BGEA C=CCc1cc(C=O)cc(OCC)c1OCC 4992635 FDSXWDMVMBKPLT-UHFFFAOYSA-N 234.295 3.025 30 50 BGEA in-vitro N#Cc1ccc(NC2CCCCC2)cc1 19951571 KCAYROWWJMYZIK-UHFFFAOYSA-N 200.285 3.303 30 50 BGEA in-vitro O/N=C/c1cccc(Oc2ccccc2)c1 2518615 RBJVECPZAOPMNW-GXDHUFHOSA-N 213.236 3.287 30 50 BGEA in-vitro C/C(=N/N)c1ccc(-c2ccccc2)cc1 4950690 HDDXXLBVPQVLQK-WJDWOHSUSA-N 210.280 3.036 30 50 BGEA C=CCn1ccnc1-c1ccccc1OCC 71760421 IDCVGCYCVDMPSY-UHFFFAOYSA-N 228.295 3.135 30 50 BGEA CC1=C2[C@@H](C[C@H]3C[C@H]2C3(C)C)[C@H](C)C1=O 257355852 CZPXCCKQGOLXPO-DMLMCSCLSA-N 204.313 3.204 30 50 BGEA CC(C)=NOC(=O)Nc1ccc(C)c(C)c1 4776569 PPWKARUXOPXSKR-UHFFFAOYSA-N 220.272 3.248 30 50 BGEA N#Cc1cc(F)ccc1OCc1ccccc1 111036859 URIQKEYISJKWRU-UHFFFAOYSA-N 227.238 3.276 30 50 BGEA C[C@@H]1CCCCN1/C(S)=N\Cc1ccccc1 8692208 NVFZAIMPKZOPIH-GFCCVEGCSA-N 248.395 3.347 30 50 BGEA CCCCCCCCCC(=O)OCC(C)=O 101464441 XKHMLFXNHNEDMC-UHFFFAOYSA-N 228.332 3.259 30 50 BGEA C=CCNCCOc1ccc(Cl)c(Cl)c1 3000409 ULZDUGJBPYQBGR-UHFFFAOYSA-N 246.137 3.148 30 50 BGEA C=CCN(CC=C)[C@H](C)c1ccccc1 115315624 ZUKMOCSJPVKFBQ-CYBMUJFWSA-N 201.313 3.422 30 50 BGEA CSc1ccc(C#N)cc1Br 116932078 MESFBLVQIHUKOI-UHFFFAOYSA-N 228.114 3.043 30 50 BGEA C[C@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 169978464 SVHPQFUXPUDKLE-JTQLQIEISA-N 222.137 3.364 30 50 BGEA in-vitro CC1(C)OB(C=C2CCSCC2)OC1(C)C 306610428 LANMTZCDVSFGAT-UHFFFAOYSA-N 240.177 3.071 30 50 BGEA N#Cc1cc(Cl)ccc1C(F)(F)F 12359250 YURDICUHGJLUCC-UHFFFAOYSA-N 205.566 3.230 30 50 BGEA C/C(=N\O)c1ccc2c3c([nH]c2c1)CCCC3 13111282 CDSRKPKYKHCXSQ-CXUHLZMHSA-N 228.295 3.245 30 50 BGEA CC1=CC[C@]23C[C@]45CC(C)=CC[C@]4(C[C@]2(C1)O3)O5 101082825 UOORIBTXUKAXFS-GEEKYZPCSA-N 244.334 3.276 30 50 BGEA Cc1ccc(-c2csc(C#N)c2)cc1N 308525880 FNJPZPXRULIXQQ-UHFFFAOYSA-N 214.293 3.177 30 50 BGEA COc1ccc(/N=C/c2ccc(O)cc2)cc1 281430 JFVWOEIMTLSAAO-XNTDXEJSSA-N 227.263 3.151 30 50 BGEA N#Cc1ccc(Oc2ccc(C=O)cc2)cc1C#N 966756 BZCGGFLTTWSEEA-UHFFFAOYSA-N 248.241 3.035 30 50 BGEA N#Cc1ccccc1Oc1ccccc1F 1403776 DKSKNOWZNGOGEY-UHFFFAOYSA-N 213.211 3.490 30 50 BGEA COc1ccc(C#N)cc1OCc1ccccc1 3847373 DTALPOKFNPTJSF-UHFFFAOYSA-N 239.274 3.146 30 50 BGEA biogenic,in-vitro CC(=O)/C=C/c1cccc(Br)c1 5159267 QZOCEEXEFIACMQ-AATRIKPKSA-N 225.085 3.051 30 50 BGEA in-vitro C=CCNC/C=C/COc1ccc(C)c(C)c1 16622921 XVTQBGFHNDRCTL-AATRIKPKSA-N 231.339 3.014 30 50 BGEA CC(=O)C1=CCCC2=CCC[C@@]3(C)[C@@H]2[C@@H]13 71786373 YEBQIPLZNQZRAE-MJBXVCDLSA-N 202.297 3.268 30 50 BGEA C=CCN(Cc1ccc(NC(C)=O)cc1)C(C)C 65396772 OZRFCAGUWGSFER-UHFFFAOYSA-N 246.354 3.041 30 50 BGEA Cc1nsc(N(C)C2CCCCC2)c1C#N 339971743 AAMVQIRHYBMCKH-UHFFFAOYSA-N 235.356 3.092 30 50 BGEA N#Cc1ccc(-c2ccc(F)c(C(=O)O)c2)cc1 65349665 HCQQUNUBYJYRTL-UHFFFAOYSA-N 241.221 3.063 30 50 BGEA in-vitro N#CC1(NCc2ccccc2)CCCCC1 20177907 MSYDWLUNGKSVFH-UHFFFAOYSA-N 214.312 3.003 30 50 BGEA Cc1ccccc1C(=O)[C@H]1O[C@H]1c1ccccc1 45068359 JKFABLSQTUYOLQ-JKSUJKDBSA-N 238.286 3.318 30 50 BGEA COc1ccc(/C=N/c2ccc(OC)cc2)cc1 100007601 ZDOHZYPZEUJYKN-LFIBNONCSA-N 241.290 3.454 30 50 BGEA C#CC(CC)(CC)NC(=O)c1ccc(CC)s1 1052290 YAAAKPKUQVPLCK-UHFFFAOYSA-N 249.379 3.232 30 50 BGEA C=CCc1cccc(C)c1OCCN(CC)CC 4845096 WYQMMWXGJDFEFW-UHFFFAOYSA-N 247.382 3.444 30 50 BGEA C=CC[C@@H](CNC(=O)OCC)c1ccccc1 2170801 IXCCNFCWJCEGSK-ZDUSSCGKSA-N 233.311 3.092 30 50 BGEA N#Cc1cc2ccc1CCc1ccc(cc1)CC2 3124723 BOVMPLZSIIZTJN-UHFFFAOYSA-N 233.314 3.442 30 50 BGEA N#CCc1ccc(Cc2ccccc2)cc1 2528067 RNZDBGKQDKFAPR-UHFFFAOYSA-N 207.276 3.343 30 50 BGEA in-vitro C=CCN(CC=C)C(=O)Nc1ccccc1F 6261996 RQFJVDCUHFFSIP-UHFFFAOYSA-N 234.274 3.032 30 50 BGEA N#C[C@@H](CC(=O)O)c1c(Cl)cccc1Cl 95082362 IRWHUIXGTIEHQD-ZCFIWIBFSA-N 244.077 3.075 30 50 BGEA C=C(C)COc1ccc2c(CC)cc(=O)oc2c1 443417 RUQNHFVMIDCDFP-UHFFFAOYSA-N 244.290 3.310 30 50 BGEA C=CCCC(=O)N(C)c1ccc(Cl)cc1F 241961386 USAWKKUQAVMLGL-UHFFFAOYSA-N 241.693 3.408 30 50 BGEA CC1(C)OB([C@@H]2CC23CCCC3)OC1(C)C 1857778720 TWDSPMRDYVTZFS-SNVBAGLBSA-N 222.137 3.413 30 50 BGEA N#Cc1cn(-c2ccccc2)nc1-c1ccccc1 81432 FDDDVYRBXUWWGA-UHFFFAOYSA-N 245.285 3.411 30 50 BGEA N#CCc1ccc(C(=O)c2ccc(F)cc2)s1 3048812 BEIJTQAVHICJOC-UHFFFAOYSA-N 245.278 3.184 30 50 BGEA C[C@@H](OC(=O)c1ccc(C#N)[nH]1)C1CCCCC1 153425523 AVZRVDOGBZSAHB-SNVBAGLBSA-N 246.310 3.012 30 50 BGEA N#C[C@@H](Cc1ccccc1)S[C@H]1CCCOC1 611537992 PHZFHMBLMYLGJB-UONOGXRCSA-N 247.363 3.033 30 50 BGEA C#CC1(C(=O)Nc2ccc(SC)cc2)CCC1 1875335535 SGRXWOCGJSXRNZ-UHFFFAOYSA-N 245.347 3.151 30 50 BGEA N#Cc1cccc(-c2cc(C(=O)O)ccc2F)c1 65349639 SHAXFUGKVKKRTB-UHFFFAOYSA-N 241.221 3.063 30 50 BGEA in-vitro C=CCNCCOc1c(C)cc(C)cc1CC=C 4870263 VIYZGGTWNZYGPX-UHFFFAOYSA-N 245.366 3.186 30 50 BGEA C=C(C)[C@H]1CC=C(CN2C[C@H](C)O[C@H](C)C2)CC1 13468381 HABGVALJRPPCLM-LZWOXQAQSA-N 249.398 3.398 30 50 BGEA N#Cc1ccc2c(c1)ncn2C1CCCC1 95496052 YWSJMFKJCNVQTC-UHFFFAOYSA-N 211.268 3.023 30 50 BGEA FC(F)(F)CC(F)(F)C(F)(F)F 113599857 BJGMDDXEWGMYHD-UHFFFAOYSA-N 202.044 3.136 30 50 BGEA C=CC[C@H]1N[C@H]2C[C@H](C)[C@H]1c1ccccc12 239432897 WVEZEGUHXBTLMA-PUPMMZHASA-N 213.324 3.399 30 50 BGEA CCC(=O)/C=C1\Sc2ccccc2N1CC 13113843 TZGSCXHSZFIZQP-LCYFTJDESA-N 233.336 3.439 30 50 BGEA CCCCCCCCCCCNC[C@H](C)O 100667816 DTSCXJIXDCOKQK-AWEZNQCLSA-N 229.408 3.488 30 50 BGEA C[Si](C)(C)C#CCc1ccc(F)cc1 196312050 ASHKOHHPDTVNPO-UHFFFAOYSA-N 206.336 3.249 30 50 BGEA in-vitro CC#CC(=O)N[C@@H](c1ccccc1)C1CCCC1 278918757 RQRAVZBKXWRTSJ-INIZCTEOSA-N 241.334 3.057 30 50 BGEA N#CCCOc1ccc(Cl)cc1Cl 2027508 WLOQURJTZOXWCB-UHFFFAOYSA-N 216.067 3.286 30 50 BGEA N#Cc1c(Cl)cccc1C(F)(F)F 2529870 DFPYRBFQHBGIKI-UHFFFAOYSA-N 205.566 3.230 30 50 BGEA CCOC(=O)CCC[C@@H](C#N)c1ccccc1 39281974 MTAGDIZQBQECSW-ZDUSSCGKSA-N 231.295 3.027 30 50 BGEA CCS[C@@H]1CC[C@@H](Nc2ccc(C#N)nc2)C1 170654178 QOMANHGANSGLNQ-ZWNOBZJWSA-N 247.367 3.039 30 50 BGEA CCCCC/C(=N\O)c1cc(C)ccc1O 5417742 HFHCFOJSFWYMPY-WYMLVPIESA-N 221.300 3.459 30 50 BGEA C=CCc1c(C)[nH]c2c(Cl)cccc2c1=O 8740326 PMKJFHGNLDEIJF-UHFFFAOYSA-N 233.698 3.218 30 50 BGEA biogenic O=[N+]([O-])c1cccc(/C=N/c2ccccc2O)c1 18032398 DMQAKUSKPGNNGO-NTEUORMPSA-N 242.234 3.051 30 50 BGEA O/N=C\c1ccc(-c2ccc(Cl)cc2)o1 18190125 NJFUMSDVJZXMKK-QPEQYQDCSA-N 221.643 3.408 30 50 BGEA C=C/C(O)=N/C[C@@H]1CCCc2sc(C)nc21 328596878 BCUNJZZQFPEXPM-VIFPVBQESA-N 236.340 3.014 30 50 BGEA C=C(C)Cn1c(-c2ccccc2)n[nH]c1=S 5685830 HZFLRGXSBCMGGK-UHFFFAOYSA-N 231.324 3.184 30 50 BGEA in-vitro C=CCN(Cc1ccsc1)Cc1ccccn1 67819021 QMCRWFQOCPTFQY-UHFFFAOYSA-N 244.363 3.331 30 50 BGEA Cc1cc(Cl)c(Cl)c(CC#N)c1 263625286 YKDCVLLODBOXGX-UHFFFAOYSA-N 200.068 3.368 30 50 BGEA Cc1ccc2ncc(C(C)(C)C#N)cc2c1 95495961 KLDUHFNCXZSJLT-UHFFFAOYSA-N 210.280 3.344 30 50 BGEA CCc1ccccc1-c1ccc(C#N)nc1 67725755 RHCPHWWRAUKFBM-UHFFFAOYSA-N 208.264 3.183 30 50 BGEA C=C1N(c2ccc(C)cc2)C(=O)OC1(C)C 50655 ZEJUVJAIJVRROF-UHFFFAOYSA-N 217.268 3.244 30 50 BGEA C=C1C(=O)O[C@@H]2[C@@H]1CCC(=C)[C@@H]1CCC(=C)[C@@H]12 253617860 NETSQGRTUNRXEO-RFQIPJPRSA-N 230.307 3.017 30 50 BGEA biogenic CC1(C)C/C(=N\O)c2cc3c(nc2C1)CCCC3 100303856 QCQCIMQHINIDLY-SAPNQHFASA-N 244.338 3.111 30 50 BGEA N#Cc1ccc(-c2cn3cccc(F)c3n2)cc1 1775955558 DUSMRIGLQCMNLL-UHFFFAOYSA-N 237.237 3.012 30 50 BGEA Cc1ccc([C@@H](C#N)C(=O)Cc2ccccc2)cc1 404815 UOFHTFKJSLPDGF-MRXNPFEDSA-N 249.313 3.414 30 50 BGEA N#Cc1ncccc1CCc1cccc(Cl)c1 4115683 JPCGKKFEDUHGDF-UHFFFAOYSA-N 242.709 3.392 30 50 BGEA in-vitro C(=N/Nc1ncnc2ccccc12)\c1ccccc1 5278531 USQZQVMBYROFJP-VCHYOVAHSA-N 248.289 3.076 30 50 BGEA C=CCN(C(=O)c1csc(CC)c1)C(C)C 71315129 KQKAEOGAURZIKK-UHFFFAOYSA-N 237.368 3.347 30 50 BGEA Nc1ccc(Cl)cc1/C(=N\O)c1ccccc1 100072526 GCAVNCINXJNLED-SSZFMOIBSA-N 246.697 3.149 30 50 BGEA in-vitro N#Cc1cc(C(F)(F)F)ccc1Cl 155322 LCISFYAQKHOWBP-UHFFFAOYSA-N 205.566 3.230 30 50 BGEA CC(C)c1csc(CN2CCC[C@H](C#N)C2)n1 97602308 XXAZIHPJJUEJHX-LLVKDONJSA-N 249.383 3.002 30 50 BGEA COc1ccc(N/C=C2/CCCCC2=O)cc1 463360 OCLMMJLZDJWQAW-KHPPLWFESA-N 231.295 3.134 30 50 BGEA C=CCOC(=O)Nc1ccc(Cl)cc1 2161962 YKSPHLOQCHTZTC-UHFFFAOYSA-N 211.648 3.075 30 50 BGEA COc1ccc(/C=C2\CCC[C@H](C)C2=O)cc1 4547746 QGMNVHNWJKXOLJ-CDDSVFCYSA-N 230.307 3.468 30 50 BGEA N#Cc1ccccc1-c1ccccc1C#N 136173 XDQREGRMKWTMOO-UHFFFAOYSA-N 204.232 3.097 30 50 BGEA in-vitro COc1ccc2c(c1)[C@@H]1O[C@H]1C1(CCCCC1)O2 100060947 QIPCGUKQTLNTJZ-UONOGXRCSA-N 246.306 3.230 30 50 BGEA C/C(=N/O)c1ccc(Cl)cc1Cl 100231674 SIHFUCIFLOLJFU-WZUFQYTHSA-N 204.056 3.192 30 50 BGEA C/C(=N/OC(=O)[C@H]1CC12CCC2)c1ccccc1 285773 ZNOFGACZSQXECG-YYTPVVGHSA-N 243.306 3.144 30 50 BGEA O=C1Cc2ccccc2C1=C1Cc2ccccc2C1 978381 CMKCIDNECKQVKB-UHFFFAOYSA-N 246.309 3.364 30 50 BGEA CSc1cc(/C=N/O)c(SC)s1 13113762 XEKZXEDRWZTAEU-XBXARRHUSA-N 219.356 3.000 30 50 BGEA N#CCc1ccc(-c2cc(CN)ccc2F)cc1 32587283 CZPVTCZZAVDXMP-UHFFFAOYSA-N 240.281 3.017 30 50 BGEA N#Cc1ccc(Oc2cnc3ccccc3c2)nc1 191861658 PLPICNYKQBMKKU-UHFFFAOYSA-N 247.257 3.294 30 50 BGEA C=CCOC(=O)Nc1cc(C)ccc1C 2171778 PUMYJEXZJHCQFQ-UHFFFAOYSA-N 205.257 3.038 30 50 BGEA C=C(C)COc1c(Cl)cc(C=O)cc1OC 2878080 OGTYUJWHNCMSAO-UHFFFAOYSA-N 240.686 3.116 30 50 BGEA CC1=C(C)C(=O)[C@@](C)(c2ccccc2)[C@@H](C)C1=O 4825694 NZWRFYFPTDOXFX-BLLLJJGKSA-N 242.318 3.069 30 50 BGEA Cc1ccccc1[C@](C#N)(CCCN)C(C)C 5712000 ZXMZREIKUXNHOO-HNNXBMFYSA-N 230.355 3.151 30 50 BGEA C=C[C@H](C)NC(=O)c1sc(C)cc1Cl 1875293574 VNDWVVXPPGANNW-LURJTMIESA-N 229.732 3.014 30 50 BGEA CC(C)(C)C1=CC(=O)C(C(C)(C)C)=CC1=O 76106 ZZYASVWWDLJXIM-UHFFFAOYSA-N 220.312 3.083 30 50 BGEA Cc1cc([N+](=O)[O-])c(C(C)(C)C)cc1C#N 345549 WHNJKXYUDAYBTI-UHFFFAOYSA-N 218.256 3.072 30 50 BGEA CN(CCCC(C)(C)C#N)c1cccc(O)c1 170649196 VPXGCGLBYCOSEV-UHFFFAOYSA-N 232.327 3.158 30 50 BGEA N#C[C@H](Cc1ccccc1)S[C@H]1CCCOC1 611537990 PHZFHMBLMYLGJB-KBPBESRZSA-N 247.363 3.033 30 50 BGEA CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O 3873071 CIEYTVIYYGTCCI-UHFFFAOYSA-N 242.274 3.234 30 50 BGEA biogenic,in-vitro C[C@@H]1CC[C@H]([C@@H](C)CS)C[C@@H]1S 4558446 SUNXFMPZAFGPFW-KATARQTJSA-N 204.404 3.287 30 50 BGEA Cc1ccccc1NC1=CC(=O)CCC1 40488504 YBURBRFEPBVTTP-UHFFFAOYSA-N 201.269 3.044 30 50 BGEA CC1=C(CC#N)[C@](C)(CC2OCCO2)CCC1 43762373 WBIFZFWJNPJEDN-AWEZNQCLSA-N 235.327 3.170 30 50 BGEA C=C1[C@H]2CC[C@@H](C2)[C@@H]1OC(=O)c1ccccc1 100697158 CHSDHLQESNINLW-MELADBBJSA-N 228.291 3.198 30 50 BGEA C=C(CN(C)C)c1ncccc1-c1ccccc1 96027233 AJNIYRWMXYGFKW-UHFFFAOYSA-N 238.334 3.323 30 50 BGEA CC1(C)OB(/C=C/Cc2ccccc2)OC1(C)C 196579761 YIABKORCFFPVSM-XYOKQWHBSA-N 244.143 3.417 30 50 BGEA N#Cc1ccc(Cl)c(Cl)c1OC(F)F 263623675 JPKFULZDDVOSOV-UHFFFAOYSA-N 238.020 3.466 30 50 BGEA C=CCNCCCCOc1ccc(OCC)cc1 3003284 XFYHDAYALPKYHX-UHFFFAOYSA-N 249.354 3.020 30 50 BGEA O=C(/C=C\c1cccs1)c1ccccn1 4566607 SCYJTOXGAXKLKG-SREVYHEPSA-N 215.277 3.039 30 50 BGEA N#Cc1ccccc1[C@H](C#N)c1ccccc1 165349 FVQZELZNBUVEQG-OAHLLOKOSA-N 218.259 3.214 30 50 BGEA in-vitro N#CC/C=N/OCc1ccc(Cl)cc1Cl 5344218 SIPLJZFYZXUOMT-LHHJGKSTSA-N 243.093 3.409 30 50 BGEA CCCCc1ccc(N/C=N\O)c(C)c1 38337299 LYNOGBKNFIHKLE-UHFFFAOYSA-N 206.289 3.167 30 50 BGEA in-vitro CC1(C)CCCC[C@@H]1NCCCSCC#N 119823945 ZKMDFVQVVOUDKI-LBPRGKRZSA-N 240.416 3.192 30 50 BGEA N#Cc1c(Cl)cccc1-n1cccc1 139701 OSROJQITBWZVDI-UHFFFAOYSA-N 202.644 3.002 30 50 BGEA COc1ccc(-c2ccc(C#N)cc2)cc1 1256742 RINYLKSNGRLNCU-UHFFFAOYSA-N 209.248 3.234 30 50 BGEA in-vitro Nc1cccc(/C=C/C(=O)c2ccccc2)c1 4235315 YCYTZAFYXNCYAD-MDZDMXLPSA-N 223.275 3.165 30 50 BGEA O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccco1 4774927 NSUYUXFCVIEMIN-VOTSOKGWSA-N 243.218 3.084 30 50 BGEA CC1=CC[C@@H]2[C@H](CC[C@@H]3C[C@H](O)CC[C@]32C)C1=O 257345582 BYZYQYOUMAVMHK-XYFZXANASA-N 248.366 3.099 30 50 BGEA O=CC12C3c4ccccc4[C@H]1[C@@H]2c1ccccc13 104949543 BGPKEBKJLXTIIX-YZUHTNEWSA-N 232.282 3.212 30 50 BGEA Cc1cc(Oc2ncccc2C#N)ccc1F 158868255 KMVDDNKRJHIIMM-UHFFFAOYSA-N 228.226 3.193 30 50 BGEA CC[C@H](C)O/N=C(\C)c1ccc(NC(C)=O)cc1 222253890 UXWUQFQKPJVBMD-ADHQNKHFSA-N 248.326 3.184 30 50 BGEA COc1cccc(-c2ccsc2C#N)c1 725245457 ICSVLCWFKDVSEH-UHFFFAOYSA-N 215.277 3.295 30 50 BGEA C=CCc1ccccc1OCCN[C@H](C)CC 2822772 TXNBJAGOGWASCK-CYBMUJFWSA-N 233.355 3.182 30 50 BGEA N#Cc1ccc(F)c(-c2ccc(O)cc2)c1 65339977 UDVBQAKNVJDZFN-UHFFFAOYSA-N 213.211 3.070 30 50 BGEA in-vitro N#Cc1cccnc1Sc1ccccc1 91891 AKYKVQMXDAVSNN-UHFFFAOYSA-N 212.277 3.104 30 50 BGEA C=C(C)CSc1nc(C)cc(C)c1C#N 616886 CVNUZBVVCBNRCL-UHFFFAOYSA-N 218.325 3.238 30 50 BGEA Cc1cccc(/C=C/C(=O)c2cccnc2)c1 5218564 RXWDMCSVKGBFDD-BQYQJAHWSA-N 223.275 3.286 30 50 BGEA CCCOc1ccc2ccccc2c1/C=N/O 11887315 PUFNZJGBLWUPAE-XNTDXEJSSA-N 229.279 3.437 30 50 BGEA CC1(C)OB(/C=C/C2CCCC2)OC1(C)C 196060931 ZRQHPPDBSWSGFA-MDZDMXLPSA-N 222.137 3.364 30 50 BGEA O=C1C=CCCCc2ccc(cc2)CC1 254506830 HWMNLHCSJRPJQE-UHFFFAOYSA-N 200.281 3.081 30 50 BGEA N#C[C@@H](c1ccccc1)c1ccc(F)cc1 1608613 LRNPWSOSXVCRKG-AWEZNQCLSA-N 211.239 3.481 30 50 BGEA in-vitro N#CCc1ccc(Cl)c(C(F)(F)F)c1 2528393 VHHNQKBCGYUWAM-UHFFFAOYSA-N 219.593 3.425 30 50 BGEA C#CC(CC)(CC)NC(=O)Nc1ccc(F)cc1 6741808 AQXCTGCDGFSINB-UHFFFAOYSA-N 248.301 3.139 30 50 BGEA N#CC1(c2ccccc2Br)CCC1 55336230 WQNBUMDTSAQSMG-UHFFFAOYSA-N 236.112 3.394 30 50 BGEA C=CCCn1ccc2c(Cl)nc(Cl)nc21 231433236 GAPQGDPUZOGZGH-UHFFFAOYSA-N 242.109 3.314 30 50 BGEA Cc1ccc(C=C2C(=O)c3ccccc3C2=O)o1 76023 INUJEYVTUPEOPF-UHFFFAOYSA-N 238.242 3.051 30 50 BGEA CC(C)=NOC(=O)Nc1ccc(Cl)cc1 236183 BPIZNAFVAYSYMY-UHFFFAOYSA-N 226.663 3.284 30 50 BGEA COc1cccc(/C=N/c2ccccc2OC)c1 2171212 RSNYRLDWVFEERH-LFIBNONCSA-N 241.290 3.454 30 50 BGEA Cc1ccc(-c2ccc(C#N)c(F)n2)c(C)c1 675073555 LCKLWHQZEZDCGQ-UHFFFAOYSA-N 226.254 3.376 30 50 BGEA C#CCC(C)(C)C(=O)N(C)[C@@H](C)c1ccccc1 193029919 LSUMUKVSXVYSAM-ZDUSSCGKSA-N 243.350 3.256 30 50 BGEA ClC1(Cl)[C@]23CC=CC[C@]12C[C@@H]1O[C@H]1C3 254476058 ZNMPIKYJPNQSHC-AATLWQCWSA-N 231.122 3.058 30 50 BGEA N#Cc1sc(Oc2ccccc2)nc1Cl 71781468 CHPZJUNVLQSELU-UHFFFAOYSA-N 236.683 3.460 30 50 BGEA C[C@@H]1C[C@H]2CCCC[C@H]2N1CCCCC#N 247707758 ZIRPOEVAAJJRGV-MGPQQGTHSA-N 220.360 3.333 30 50 BGEA N#CCc1c(F)ccc(Cl)c1Cl 2527797 VWYOHSANHXLZAC-UHFFFAOYSA-N 204.031 3.199 30 50 BGEA C=CCc1ccc(Br)nc1Cl 35270465 CUWURFDLPNVNQR-UHFFFAOYSA-N 232.508 3.226 30 50 BGEA in-vitro CN(C)/C=N/C(C)(C)Cc1ccc(Cl)cc1 95918053 GKAMPJOKKWKZHK-XNTDXEJSSA-N 238.762 3.251 30 50 BGEA C=C(C)CCN(C)Cc1cccc(N(C)C)c1 170599661 KJMGCGQFLMUCRT-UHFFFAOYSA-N 232.371 3.151 30 50 BGEA ON=C(Cc1ccccc1)Cc1ccccc1 137507 SXEBLVKLMOIGER-UHFFFAOYSA-N 225.291 3.302 30 50 BGEA C=CCSc1nc(C)c2cc(OC)ccc2n1 2958411 BJQFOBHZMZZZTN-UHFFFAOYSA-N 246.335 3.225 30 50 BGEA C[C@H]1CCCCN1/C(S)=N\Cc1ccccc1 13865595 NVFZAIMPKZOPIH-LBPRGKRZSA-N 248.395 3.347 30 50 BGEA CC1=NN(C(C)(C)C#N)[C@@H](c2ccccc2)C1 1441893 LYNZXUTZGUZPMI-CYBMUJFWSA-N 227.311 3.111 30 50 BGEA CSc1cc(Br)ccc1C#N 162968793 OQHGMAKAPBUZKK-UHFFFAOYSA-N 228.114 3.043 30 50 BGEA CC(C)=CCSCc1ccncc1C#N 592350041 QLYBRJXZFMXKGT-UHFFFAOYSA-N 218.325 3.153 30 50 BGEA C=CCOc1ccc(CNCc2ccco2)cc1 5019468 KXXMJKWJIPZINJ-UHFFFAOYSA-N 243.306 3.134 30 50 BGEA C=C1COC(=O)[C@]12C[C@@H]1CCC[C@H](C)[C@]1(C)C2 139747293 OVXAYHNZXBOVPV-LVGORTOPSA-N 234.339 3.322 30 50 BGEA CCn1ncc(/C=C/C(=O)c2ccccc2)c1C 4651474 VVFYQOKKAYLJKP-MDZDMXLPSA-N 240.306 3.108 30 50 BGEA COc1ccc(CC#N)cc1OC1CCCC1 22007129 KOIFVFCAXJUKHG-UHFFFAOYSA-N 231.295 3.083 30 50 BGEA in-vitro C=C(C)Cn1cnc2cc(C)c(C)cc21 572546 OCRQINWSZZITFH-UHFFFAOYSA-N 200.285 3.229 30 50 BGEA C=C(C)Cn1c(Cc2ccccc2)n[nH]c1=S 6492944 YSGFFGZWXUKLPM-UHFFFAOYSA-N 245.351 3.108 30 50 BGEA CC(=O)/C=C/c1ccc(C(F)(F)F)cc1 159657 PHVQEHOBDSECPV-NSCUHMNNSA-N 214.186 3.308 30 50 BGEA in-vitro Cc1sc(NC(=O)c2ccco2)c(C#N)c1C 334725 XOHOPEJPAXDPPC-UHFFFAOYSA-N 246.291 3.082 30 50 BGEA C[Si](C)(C)C#Cc1ccc2cnccc2c1 169746789 UCOHUADOYDRLLK-UHFFFAOYSA-N 225.367 3.464 30 50 BGEA C=C1COC(=O)[C@]12C[C@@H]1CCC[C@@H](C)[C@]1(C)C2 253596239 OVXAYHNZXBOVPV-WCUVEOEZSA-N 234.339 3.322 30 50 BGEA C=CCC(=O)Nc1c(C)cnn1C(CC)CC 55196011 XQVDOSBPYPZWBB-UHFFFAOYSA-N 235.331 3.067 30 50 BGEA N#CC1(c2ccc(Br)cc2)CC1 88308 BWPZBXQENXGRQV-UHFFFAOYSA-N 222.085 3.004 30 50 BGEA in-vitro Cc1cccc(/C=N/c2ccccc2O)c1O 436510 VJBLEOZTKBIXOM-OQLLNIDSSA-N 227.263 3.157 30 50 BGEA CCCCCCCCC[C@H](O)CC(=O)OC 2504626 OZXCINYANGIBDB-LBPRGKRZSA-N 230.348 3.051 30 50 BGEA in-vitro C[C@H](C#N)C(O)(c1ccccc1)c1ccccc1 17299554 NVXKKAKSNWELHS-CYBMUJFWSA-N 237.302 3.082 30 50 BGEA CC/C(=N\O)c1ccc(OC)c2cccc(O)c12 100478120 HQCCFPOOJNKYSQ-RVDMUPIBSA-N 245.278 3.142 30 50 BGEA O=C1/C(=C\c2ccncc2)Sc2ccccc21 4953965 RRCRNGWFBFNBAL-UKTHLTGXSA-N 239.299 3.411 30 50 BGEA Oc1ccccc1/C=N/c1ccccc1S 17020798 RCDKQPLQNRHCGH-NTEUORMPSA-N 229.304 3.432 30 50 BGEA CC(C)(C)C(=O)/C=C/Nc1cccc([N+](=O)[O-])c1 18122246 YLTQAECLWXZKBM-BQYQJAHWSA-N 248.282 3.136 30 50 BGEA CC[C@H](CC#N)NC1CC(C)(c2ccccc2)C1 253424689 JSSLBRIUYMUPEW-QQFBHYJXSA-N 242.366 3.389 30 50 BGEA Nc1cc(C(F)(F)F)c(F)cc1C(F)(F)F 263622842 BIWVEZKGUXOATR-UHFFFAOYSA-N 247.113 3.446 30 50 BGEA N#CCC(=O)c1ccc(-c2ccccc2)cc1 2579806 BZAJCNCPXHAXBZ-UHFFFAOYSA-N 221.259 3.450 30 50 BGEA in-vitro N#Cc1c(NCc2ccccc2)cc[nH]c1=S 12341299 ZOWMFHQEPIBLTG-UHFFFAOYSA-N 241.319 3.228 30 50 BGEA C=C(CO)c1cc(O)c2c(c1C)[C@@H](C)CCC2 238783315 WTBQXGRZSKOUQU-VIFPVBQESA-N 232.323 3.146 30 50 BGEA biogenic CC(Cl)=NOC(=O)N[C@@H](C)c1ccccc1 245329099 XOIGLRDHUROAOV-QMMMGPOBSA-N 240.690 3.046 30 50 BGEA C=C1[C@H]2C[C@H]2[C@]2(C)Cc3occ(C)c3[C@H](O)[C@@H]12 32071524 XRDJYSVGPBJZSG-PSDLAXTLSA-N 230.307 3.006 30 50 BGEA biogenic,in-vitro CCCCCCCCCOC(=O)CS 59448531 YRIQTCODFIJDKE-UHFFFAOYSA-N 218.362 3.210 30 50 BGEA Cc1cccc([C@H](C#N)c2ccc(Cl)nn2)c1 169885 CTRXOKALOFTXKD-NSHDSACASA-N 243.697 3.094 30 50 BGEA Cc1ccc([C@H](C#N)c2ccc(Cl)nn2)cc1 169883 BSXPVUKZVCIWHG-NSHDSACASA-N 243.697 3.094 30 50 BGEA C=C1CCN(C(=O)Nc2ccc(C)cc2)CC1 225544058 RMRHFMQFZPUGOP-UHFFFAOYSA-N 230.311 3.179 30 50 BGEA CCC(=O)Nc1sc2c(c1C#N)C[C@@H](C)CC2 477098 SKQMUIAQSNHKAE-QMMMGPOBSA-N 248.351 3.093 30 50 BGEA CCCCC1=C(O)C(=O)c2ccccc2C1=O 2497009 ZONYJZHBAWFOLS-UHFFFAOYSA-N 230.263 3.068 30 50 BGEA Cc1ccccc1/C=C/C(=O)c1ccc(N)cc1 16972009 DZXTWWKDDAWCNR-DHZHZOJOSA-N 237.302 3.473 30 50 BGEA N#CC1(c2cccc3ccccc23)CCOCC1 28286115 FIBBXSSLJAIEQW-UHFFFAOYSA-N 237.302 3.412 30 50 BGEA CCC/C(=N\O)c1c(C)[nH]c2ccccc12 4575217 ZTSMSJCVZJKDGD-NTCAYCPXSA-N 216.284 3.455 30 50 BGEA CC(=O)/C=C/c1ccccc1C(F)(F)F 33845599 DNMFDFHJWALWGN-VOTSOKGWSA-N 214.186 3.308 30 50 BGEA in-vitro C[C@@]1(c2ccc(Cl)c(Cl)c2)O[C@@H]1C#N 307212933 WJHODQZZMVTCQF-ZJUUUORDSA-N 228.078 3.131 30 50 BGEA Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1 66189 VTPGIUMSTZHXMS-UHFFFAOYSA-N 236.274 3.119 30 50 BGEA O=C(Nc1ccccc1)ON=C1CCCC1 289205 LCKHLRANAFSULA-UHFFFAOYSA-N 218.256 3.165 30 50 BGEA C=CCSc1nc2c(cc1C#N)CCCC2 3682850 ORGOAWYXMVOANL-UHFFFAOYSA-N 230.336 3.110 30 50 BGEA c1ccc(-c2ccccc2OC[C@H]2CO2)cc1 4261841 DNVXWIINBUTFEP-CYBMUJFWSA-N 226.275 3.131 30 50 BGEA in-vitro C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2C 9668942 OYOSOUHKSKHZCY-NXEZZACHSA-N 242.322 3.166 30 50 BGEA CCOC(=O)C/C(C)=N\c1ccc(F)cc1F 575332751 DGYMGMDKEZAGBR-NVNXTCNLSA-N 241.237 3.010 30 50 BGEA Cc1ccc(C)c(-c2csc(N)c2C#N)c1 34151 YGAOADHWCFBYHS-UHFFFAOYSA-N 228.320 3.486 30 50 BGEA in-vitro Cc1ccc(N/C=C/C(=O)C(C)(C)C)c(O)c1 8828746 PYVMALNELJOWAF-BQYQJAHWSA-N 233.311 3.241 30 50 BGEA CC1=Nc2ccccc2NC2=C1C(=O)C[C@@H](C)C2 100420794 UTOISACCYBNQIX-VIFPVBQESA-N 240.306 3.458 30 50 BGEA N#C[C@@H]1CC(c2ccccc2)=NN1c1ccccc1 4011790 BSKPIEALJAZZOT-HNNXBMFYSA-N 247.301 3.193 30 50 BGEA C[Si](C)(C)C#Cc1cncc2ccccc12 169746787 DVMVOTDOLFSKHL-UHFFFAOYSA-N 225.367 3.464 30 50 BGEA N#Cc1c(Cl)cc(Cl)cc1OC(F)F 263623280 GEVVYXLBNHJEAS-UHFFFAOYSA-N 238.020 3.466 30 50 BGEA